N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C16H24N2O4 — CID 95781275

IUPACN-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C16H24N2O4/c1-10(2)14(18-15(20)13-7-4-8-22-13)16(21)17-9-11-5-3-6-12(11)19/h4,7-8,10-12,14,19H,3,5-6,9H2,1-2H3,(H,17,21)(H,18,20)/t11-,12-,14-/m0/s1
InChIKeyUOEQLRREFAOQPN-OBJOEFQTSA-N
MW308.38 g/mol
LogP1.31
Rot. Bonds6

About N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 95781275) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID95781275
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C16H24N2O4/c1-10(2)14(18-15(20)13-7-4-8-22-13)16(21)17-9-11-5-3-6-12(11)19/h4,7-8,10-12,14,19H,3,5-6,9H2,1-2H3,(H,17,21)(H,18,20)/t11-,12-,14-/m0/s1
InChIKeyUOEQLRREFAOQPN-OBJOEFQTSA-N
XLogP1.31
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 51491143
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119390043
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2481546
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-1-(2-benzylsulfanylethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548221
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 95781275) is N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCC[C@@H]1O.
What is the InChIKey of N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is UOEQLRREFAOQPN-OBJOEFQTSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10(2)14(18-15(20)13-7-4-8-22-13)16(21)17-9-11-5-3-6-12(11)19/h4,7-8,10-12,14,19H,3,5-6,9H2,1-2H3,(H,17,21)(H,18,20)/t11-,12-,14-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 95781275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).