2-amino-3-(2-oxoazepan-3-yl)propanoic acid

C9H16N2O3 — CID 70548732

IUPAC2-amino-3-(2-oxoazepan-3-yl)propanoic acid
SMILESNC(CC1CCCCNC1=O)C(=O)O
InChIInChI=1S/C9H16N2O3/c10-7(9(13)14)5-6-3-1-2-4-11-8(6)12/h6-7H,1-5,10H2,(H,11,12)(H,13,14)
InChIKeyFAESDXCFALPPTF-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.30
Rot. Bonds3

About 2-amino-3-(2-oxoazepan-3-yl)propanoic acid

2-amino-3-(2-oxoazepan-3-yl)propanoic acid (PubChem CID 70548732) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-amino-3-(2-oxoazepan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-oxoazepan-3-yl)propanoic acid
PubChem CID70548732
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-amino-3-(2-oxoazepan-3-yl)propanoic acid
SMILESNC(CC1CCCCNC1=O)C(=O)O
InChIInChI=1S/C9H16N2O3/c10-7(9(13)14)5-6-3-1-2-4-11-8(6)12/h6-7H,1-5,10H2,(H,11,12)(H,13,14)
InChIKeyFAESDXCFALPPTF-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-oxoazepan-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-oxoazepan-3-yl)propanoic acid (CID 70548732) is 2-amino-3-(2-oxoazepan-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-oxoazepan-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-oxoazepan-3-yl)propanoic acid is NC(CC1CCCCNC1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(2-oxoazepan-3-yl)propanoic acid?
The InChIKey is FAESDXCFALPPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-7(9(13)14)5-6-3-1-2-4-11-8(6)12/h6-7H,1-5,10H2,(H,11,12)(H,13,14).
What are the key properties of 2-amino-3-(2-oxoazepan-3-yl)propanoic acid?
2-amino-3-(2-oxoazepan-3-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-oxoazepan-3-yl)propanoic acid is sourced from PubChem (CID 70548732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).