2-amino-4-(cyclopentylmethylamino)butanoic acid

C10H20N2O2 — CID 115241244

IUPAC2-amino-4-(cyclopentylmethylamino)butanoic acid
SMILESNC(CCNCC1CCCC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c11-9(10(13)14)5-6-12-7-8-3-1-2-4-8/h8-9,12H,1-7,11H2,(H,13,14)
InChIKeyJXHURCNHQNITJH-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.57
Rot. Bonds6

About 2-amino-4-(cyclopentylmethylamino)butanoic acid

2-amino-4-(cyclopentylmethylamino)butanoic acid (PubChem CID 115241244) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-4-(cyclopentylmethylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(cyclopentylmethylamino)butanoic acid
PubChem CID115241244
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-4-(cyclopentylmethylamino)butanoic acid
SMILESNC(CCNCC1CCCC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c11-9(10(13)14)5-6-12-7-8-3-1-2-4-8/h8-9,12H,1-7,11H2,(H,13,14)
InChIKeyJXHURCNHQNITJH-UHFFFAOYSA-N
XLogP0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2-cyclopentylethylamino)butanoic acid
CID 115241359
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
2-amino-4-(cyclohexylmethylamino)-1-piperidin-1-ylbutan-1-one;dihydrochloride
CID 69237745
4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789
2-amino-4-(aminomethylamino)butanoic acid
CID 58794826
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid
CID 165445623
(2R)-2-amino-4-(2-oxoethylamino)butanoic acid;(2S)-2-amino-4-(2-oxoethylamino)butanoic acid
CID 155390732
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
1-N-(cyclopropylmethyl)butane-1,3-diamine
CID 61151017

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopentylmethylamino)butanoic acid?
The IUPAC name of 2-amino-4-(cyclopentylmethylamino)butanoic acid (CID 115241244) is 2-amino-4-(cyclopentylmethylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(cyclopentylmethylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(cyclopentylmethylamino)butanoic acid is NC(CCNCC1CCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(cyclopentylmethylamino)butanoic acid?
The InChIKey is JXHURCNHQNITJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-9(10(13)14)5-6-12-7-8-3-1-2-4-8/h8-9,12H,1-7,11H2,(H,13,14).
What are the key properties of 2-amino-4-(cyclopentylmethylamino)butanoic acid?
2-amino-4-(cyclopentylmethylamino)butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopentylmethylamino)butanoic acid is sourced from PubChem (CID 115241244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).