4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid

C14H24N2O4 — CID 82009294

IUPAC4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H24N2O4/c1-11(6-7-14(19)20)9-15-12(17)10-16-8-4-2-3-5-13(16)18/h11H,2-10H2,1H3,(H,15,17)(H,19,20)
InChIKeyUDXYPYNTZORXIO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.01
Rot. Bonds7

About 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid

4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid (PubChem CID 82009294) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
PubChem CID82009294
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H24N2O4/c1-11(6-7-14(19)20)9-15-12(17)10-16-8-4-2-3-5-13(16)18/h11H,2-10H2,1H3,(H,15,17)(H,19,20)
InChIKeyUDXYPYNTZORXIO-UHFFFAOYSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanedioic acid
CID 61151877
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
3-[[2-(2-oxoazepan-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830738
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium
CID 9464030
2-[2-[[2-(2-oxoazocan-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241925
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
CID 66173577
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid (CID 82009294) is 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)CN1CCCCCC1=O.
What is the InChIKey of 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is UDXYPYNTZORXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(6-7-14(19)20)9-15-12(17)10-16-8-4-2-3-5-13(16)18/h11H,2-10H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid?
4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 82009294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).