2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid

C10H19NO3 — CID 64669958

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
SMILESCCC(NC1(CO)CCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-8(9(13)14)11-10(7-12)5-3-4-6-10/h8,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyLPBBYTUHFJDNAI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.74
Rot. Bonds5

About 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid

2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid (PubChem CID 64669958) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
PubChem CID64669958
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
SMILESCCC(NC1(CO)CCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-8(9(13)14)11-10(7-12)5-3-4-6-10/h8,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyLPBBYTUHFJDNAI-UHFFFAOYSA-N
XLogP0.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(pentan-3-ylamino)cyclopentyl]methanol
CID 78991037
methyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]hexanoate
CID 103249119
N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 62522232
ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
CID 62518465
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid
CID 103268089
methyl (2S)-3-hydroxy-2-[(1-propylcyclopentyl)amino]propanoate
CID 70460776
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
4-[[1-(hydroxymethyl)cyclopentyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498282
(2R)-3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 80751284
1-(azepan-1-yl)-2-[[1-(hydroxymethyl)cyclopentyl]amino]propan-1-one
CID 62518829
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid (CID 64669958) is 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid is CCC(NC1(CO)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid?
The InChIKey is LPBBYTUHFJDNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-8(9(13)14)11-10(7-12)5-3-4-6-10/h8,11-12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid?
2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid is sourced from PubChem (CID 64669958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).