2-amino-4-(2-cyclopentylethylamino)butanoic acid

C11H22N2O2 — CID 115241359

IUPAC2-amino-4-(2-cyclopentylethylamino)butanoic acid
SMILESNC(CCNCCC1CCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c12-10(11(14)15)6-8-13-7-5-9-3-1-2-4-9/h9-10,13H,1-8,12H2,(H,14,15)
InChIKeyRMRYOHVIAZEPAW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.96
Rot. Bonds7

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

2-amino-4-(2-cyclopentylethylamino)butanoic acid (PubChem CID 115241359) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-4-(2-cyclopentylethylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-cyclopentylethylamino)butanoic acid
PubChem CID115241359
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-4-(2-cyclopentylethylamino)butanoic acid
SMILESNC(CCNCCC1CCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c12-10(11(14)15)6-8-13-7-5-9-3-1-2-4-9/h9-10,13H,1-8,12H2,(H,14,15)
InChIKeyRMRYOHVIAZEPAW-UHFFFAOYSA-N
XLogP0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.96
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-(cyclopentylmethylamino)butanoic acid
CID 115241244
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
2-amino-4-(aminomethylamino)butanoic acid
CID 58794826
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
CID 150887709
N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
(2R)-2-amino-4-(2-oxoethylamino)butanoic acid;(2S)-2-amino-4-(2-oxoethylamino)butanoic acid
CID 155390732
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
2-amino-4-(4-methylpentylamino)butanoic acid
CID 115241308

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-cyclopentylethylamino)butanoic acid?
The IUPAC name of 2-amino-4-(2-cyclopentylethylamino)butanoic acid (CID 115241359) is 2-amino-4-(2-cyclopentylethylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-cyclopentylethylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(2-cyclopentylethylamino)butanoic acid is NC(CCNCCC1CCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(2-cyclopentylethylamino)butanoic acid?
The InChIKey is RMRYOHVIAZEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-10(11(14)15)6-8-13-7-5-9-3-1-2-4-9/h9-10,13H,1-8,12H2,(H,14,15).
What are the key properties of 2-amino-4-(2-cyclopentylethylamino)butanoic acid?
2-amino-4-(2-cyclopentylethylamino)butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-cyclopentylethylamino)butanoic acid is sourced from PubChem (CID 115241359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).