3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide

C10H18N2O4 — CID 20698682

IUPAC3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide
SMILESCC(CO)C(=O)NC1CCCCN(O)C1=O
InChIInChI=1S/C10H18N2O4/c1-7(6-13)9(14)11-8-4-2-3-5-12(16)10(8)15/h7-8,13,16H,2-6H2,1H3,(H,11,14)
InChIKeyMGLLNFKFSHASRN-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.50
Rot. Bonds3

About 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide

3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide (PubChem CID 20698682) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide
PubChem CID20698682
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide
SMILESCC(CO)C(=O)NC1CCCCN(O)C1=O
InChIInChI=1S/C10H18N2O4/c1-7(6-13)9(14)11-8-4-2-3-5-12(16)10(8)15/h7-8,13,16H,2-6H2,1H3,(H,11,14)
InChIKeyMGLLNFKFSHASRN-UHFFFAOYSA-N
XLogP-0.50
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-4-[[(2S)-1-[[(1S,2S)-1-carboxy-1-hydroxy-3-[[(2R,3S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(dodecanoylamino)-2-hydroxy-4-oxobutanoic acid
CID 162816485
N-[1-(cyanomethyl)-2-oxopyrrolidin-3-yl]-2-methylpropanamide
CID 166529368
1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one
CID 22983832
[(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid
CID 141083733
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
tert-butyl N-[1-(2-methylpropyl)-2-oxoazepan-3-yl]carbamate
CID 77474999
2-methyl-3-oxo-3-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]propanoic acid
CID 122066329
benzyl N-[(4S)-5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]carbamate
CID 11113569
2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 103681220
(2R)-2-amino-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106255828
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
(1-hydroxy-2-oxoazepan-3-yl)phosphonous acid
CID 145153814

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide?
The IUPAC name of 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide (CID 20698682) is 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide.
What is the SMILES notation for 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide?
The canonical SMILES for 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide is CC(CO)C(=O)NC1CCCCN(O)C1=O.
What is the InChIKey of 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide?
The InChIKey is MGLLNFKFSHASRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(6-13)9(14)11-8-4-2-3-5-12(16)10(8)15/h7-8,13,16H,2-6H2,1H3,(H,11,14).
What are the key properties of 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide?
3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide has a molecular weight of 230.26 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide is sourced from PubChem (CID 20698682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).