(2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide

C24H30N4O7 — CID 56588265

IUPAC(2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H30N4O7/c29-17-11-12-28(24(34)27-17)23-19(31)18(30)20(35-23)22(33)26-16(13-14-7-3-1-4-8-14)21(32)25-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15-16,18-20,23,30-31H,2,5-6,9-10,13H2,(H,25,32)(H,26,33)(H,27,29,34)/t16-,18+,19-,20+,23-/m1/s1
InChIKeyPIQNPXVMPILJAP-NXOMJONSSA-N
MW486.53 g/mol
LogP-0.67
Rot. Bonds7

About (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide

(2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide (PubChem CID 56588265) has the molecular formula C24H30N4O7 and a molecular weight of 486.53 g/mol. Its IUPAC name is (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
PubChem CID56588265
Molecular FormulaC24H30N4O7
Molecular Weight486.53 g/mol
Exact Mass486.21
IUPAC Name(2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H30N4O7/c29-17-11-12-28(24(34)27-17)23-19(31)18(30)20(35-23)22(33)26-16(13-14-7-3-1-4-8-14)21(32)25-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15-16,18-20,23,30-31H,2,5-6,9-10,13H2,(H,25,32)(H,26,33)(H,27,29,34)/t16-,18+,19-,20+,23-/m1/s1
InChIKeyPIQNPXVMPILJAP-NXOMJONSSA-N
XLogP-0.67
TPSA162.75 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide with MolForge

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Related Compounds

N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-2-phenyl-acetamide
CID 5272853
2-Biphenyl-2-yl-N-[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-acetamide
CID 44290061
(2S)-N-benzyl-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-3-phenylpropanamide
CID 51361584
N-(1-benzylpyrrolidin-3-yl)-3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanamide
CID 51360121
(2S)-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 51361638
(2S)-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 51361639
(2R)-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
CID 51361643
2-[(2-amino-4-phenylbutanoyl)amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
CID 56664650
(2S,3S,5R)-N-benzhydryl-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxamide
CID 72163749
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-2-phenyl-acetamide
CID 5272852
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-3-phenyl-propanamide
CID 5272854
(2S)-2-[[(2S)-2-amino-4-phenyl-butanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
CID 456514

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide (CID 56588265) is (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The InChIKey is PIQNPXVMPILJAP-NXOMJONSSA-N. The full InChI is InChI=1S/C24H30N4O7/c29-17-11-12-28(24(34)27-17)23-19(31)18(30)20(35-23)22(33)26-16(13-14-7-3-1-4-8-14)21(32)25-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15-16,18-20,23,30-31H,2,5-6,9-10,13H2,(H,25,32)(H,26,33)(H,27,29,34)/t16-,18+,19-,20+,23-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
(2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide has a molecular weight of 486.53 g/mol, XLogP of -0.67, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide is sourced from PubChem (CID 56588265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).