3-(cyclopentylmethylamino)butanoic acid

C10H19NO2 — CID 43536958

IUPAC3-(cyclopentylmethylamino)butanoic acid
SMILESCC(CC(=O)O)NCC1CCCC1
InChIInChI=1S/C10H19NO2/c1-8(6-10(12)13)11-7-9-4-2-3-5-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyHUGFAPGTCPYNGT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds5

About 3-(cyclopentylmethylamino)butanoic acid

3-(cyclopentylmethylamino)butanoic acid (PubChem CID 43536958) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)butanoic acid.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)butanoic acid
PubChem CID43536958
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(cyclopentylmethylamino)butanoic acid
SMILESCC(CC(=O)O)NCC1CCCC1
InChIInChI=1S/C10H19NO2/c1-8(6-10(12)13)11-7-9-4-2-3-5-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyHUGFAPGTCPYNGT-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(cyclopentylmethylamino)butanoate
CID 43536965
3-(cyclobutylmethylamino)butanamide
CID 115676578
3-[(2-hydroxycyclohexyl)methylamino]butanoic acid
CID 64911182
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
2-(cyclohexylmethylamino)propanamide
CID 43216154
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
3-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 79390885
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)butanoic acid?
The IUPAC name of 3-(cyclopentylmethylamino)butanoic acid (CID 43536958) is 3-(cyclopentylmethylamino)butanoic acid.
What is the SMILES notation for 3-(cyclopentylmethylamino)butanoic acid?
The canonical SMILES for 3-(cyclopentylmethylamino)butanoic acid is CC(CC(=O)O)NCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylamino)butanoic acid?
The InChIKey is HUGFAPGTCPYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(6-10(12)13)11-7-9-4-2-3-5-9/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-(cyclopentylmethylamino)butanoic acid?
3-(cyclopentylmethylamino)butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)butanoic acid is sourced from PubChem (CID 43536958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).