4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid

C12H22N2O3 — CID 64887954

IUPAC4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCC1CCCC1
InChIInChI=1S/C12H22N2O3/c13-10(5-6-11(15)16)12(17)14-8-7-9-3-1-2-4-9/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyABPKJLGUSWMYJO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.88
Rot. Bonds7

About 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid

4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid (PubChem CID 64887954) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
PubChem CID64887954
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCC1CCCC1
InChIInChI=1S/C12H22N2O3/c13-10(5-6-11(15)16)12(17)14-8-7-9-3-1-2-4-9/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyABPKJLGUSWMYJO-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
CID 103831775
4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 64889744
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid (CID 64887954) is 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCC1CCCC1.
What is the InChIKey of 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid?
The InChIKey is ABPKJLGUSWMYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-10(5-6-11(15)16)12(17)14-8-7-9-3-1-2-4-9/h9-10H,1-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid?
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 64887954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).