N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide

C15H24N4O5 — CID 3675354

IUPACN-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1=CC(NC(=O)C2CCCN2)C(O)C(O)C1)C(N)=O
InChIInChI=1S/C15H24N4O5/c1-7(13(16)22)18-14(23)8-5-10(12(21)11(20)6-8)19-15(24)9-3-2-4-17-9/h5,7,9-12,17,20-21H,2-4,6H2,1H3,(H2,16,22)(H,18,23)(H,19,24)
InChIKeyCKDDZSYYJAHJEE-UHFFFAOYSA-N
MW340.38 g/mol
LogP-2.73
Rot. Bonds5

About N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide

N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide (PubChem CID 3675354) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
PubChem CID3675354
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC NameN-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1=CC(NC(=O)C2CCCN2)C(O)C(O)C1)C(N)=O
InChIInChI=1S/C15H24N4O5/c1-7(13(16)22)18-14(23)8-5-10(12(21)11(20)6-8)19-15(24)9-3-2-4-17-9/h5,7,9-12,17,20-21H,2-4,6H2,1H3,(H2,16,22)(H,18,23)(H,19,24)
InChIKeyCKDDZSYYJAHJEE-UHFFFAOYSA-N
XLogP-2.73
TPSA153.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 5-2.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-3-(3-aminopropanoylamino)-4,5-dihydroxycyclohexene-1-carboxamide
CID 3284608
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
(3R,4R,5R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-4,5-dihydroxy-3-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]cyclohexene-1-carboxamide
CID 11866105
N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
CID 7050090
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
(2R)-N-(2-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide
CID 103796390
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide (CID 3675354) is N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide is CC(NC(=O)C1=CC(NC(=O)C2CCCN2)C(O)C(O)C1)C(N)=O.
What is the InChIKey of N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide?
The InChIKey is CKDDZSYYJAHJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-7(13(16)22)18-14(23)8-5-10(12(21)11(20)6-8)19-15(24)9-3-2-4-17-9/h5,7,9-12,17,20-21H,2-4,6H2,1H3,(H2,16,22)(H,18,23)(H,19,24).
What are the key properties of N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide?
N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of -2.73, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3675354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).