3-amino-2-(2-methylazepan-1-yl)propanoic acid

C10H20N2O2 — CID 64693147

IUPAC3-amino-2-(2-methylazepan-1-yl)propanoic acid
SMILESCC1CCCCCN1C(CN)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-8-5-3-2-4-6-12(8)9(7-11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyVERNOWQYZUKDTJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.66
Rot. Bonds3

About 3-amino-2-(2-methylazepan-1-yl)propanoic acid

3-amino-2-(2-methylazepan-1-yl)propanoic acid (PubChem CID 64693147) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-2-(2-methylazepan-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-methylazepan-1-yl)propanoic acid
PubChem CID64693147
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-2-(2-methylazepan-1-yl)propanoic acid
SMILESCC1CCCCCN1C(CN)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-8-5-3-2-4-6-12(8)9(7-11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyVERNOWQYZUKDTJ-UHFFFAOYSA-N
XLogP0.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-aminopropanoic acid
CID 102725793
2-(2-methylpyrrolidin-1-yl)pentanedioic acid
CID 79680347
4-amino-3-(2-methylpiperidin-1-yl)butanamide
CID 66426676
4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430485
3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
CID 103229712
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842
(2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
CID 124824394
4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 66430499
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
CID 66428386
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415139
3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 64693345
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylazepan-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(2-methylazepan-1-yl)propanoic acid (CID 64693147) is 3-amino-2-(2-methylazepan-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-methylazepan-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(2-methylazepan-1-yl)propanoic acid is CC1CCCCCN1C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(2-methylazepan-1-yl)propanoic acid?
The InChIKey is VERNOWQYZUKDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-5-3-2-4-6-12(8)9(7-11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(2-methylazepan-1-yl)propanoic acid?
3-amino-2-(2-methylazepan-1-yl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylazepan-1-yl)propanoic acid is sourced from PubChem (CID 64693147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).