4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid

C10H16N2O4 — CID 6930772

IUPAC4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
SMILESO=C(O)CCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C10H16N2O4/c13-8(4-5-9(14)15)12-7-3-1-2-6-11-10(7)16/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyMYVAZNVHDCWAAU-ZETCQYMHSA-N
MW228.25 g/mol
LogP-0.36
Rot. Bonds4

About 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid

4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid (PubChem CID 6930772) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
PubChem CID6930772
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
SMILESO=C(O)CCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C10H16N2O4/c13-8(4-5-9(14)15)12-7-3-1-2-6-11-10(7)16/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyMYVAZNVHDCWAAU-ZETCQYMHSA-N
XLogP-0.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylacetic acid
CID 2813122
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide
CID 47031038

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid?
The IUPAC name of 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid (CID 6930772) is 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid is O=C(O)CCC(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid?
The InChIKey is MYVAZNVHDCWAAU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8(4-5-9(14)15)12-7-3-1-2-6-11-10(7)16/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid?
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid is sourced from PubChem (CID 6930772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).