2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid

C12H20N2O5 — CID 66173577

IUPAC2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
SMILESCC(O)(CNC(=O)CN1CCCCCC1=O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(19,11(17)18)8-13-9(15)7-14-6-4-2-3-5-10(14)16/h19H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyJJBFWSWWYGMCEV-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.66
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid (PubChem CID 66173577) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
PubChem CID66173577
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
SMILESCC(O)(CNC(=O)CN1CCCCCC1=O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(19,11(17)18)8-13-9(15)7-14-6-4-2-3-5-10(14)16/h19H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyJJBFWSWWYGMCEV-UHFFFAOYSA-N
XLogP-0.66
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2-oxoazepan-1-yl)acetamide
CID 103712564
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
2-[2-[[2-(2-oxoazocan-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241925
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
CID 82009294
N-(4-hydroxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 106843150
1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea
CID 23348612

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid (CID 66173577) is 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid is CC(O)(CNC(=O)CN1CCCCCC1=O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid?
The InChIKey is JJBFWSWWYGMCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(19,11(17)18)8-13-9(15)7-14-6-4-2-3-5-10(14)16/h19H,2-8H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 66173577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).