(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid

C10H18N2O3 — CID 67333173

IUPAC(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC1CCCC1
InChIInChI=1S/C10H18N2O3/c11-10(15)8(5-6-9(13)14)12-7-3-1-2-4-7/h7-8,12H,1-6H2,(H2,11,15)(H,13,14)/t8-/m0/s1
InChIKeyAFFGJTPPCCPIES-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.24
Rot. Bonds6

About (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid

(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid (PubChem CID 67333173) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid
PubChem CID67333173
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC1CCCC1
InChIInChI=1S/C10H18N2O3/c11-10(15)8(5-6-9(13)14)12-7-3-1-2-4-7/h7-8,12H,1-6H2,(H2,11,15)(H,13,14)/t8-/m0/s1
InChIKeyAFFGJTPPCCPIES-QMMMGPOBSA-N
XLogP0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid
CID 67336025
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
2-(cyclohexylamino)octanamide
CID 54893908
2-(cyclopentylamino)-3-methoxypropanamide
CID 115924491
4-(cyclopentylamino)-5-oxo-5-thiophen-2-ylpentanoic acid
CID 82348678
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
CID 104968607
2-(cyclopentylamino)-N',N'-dimethylbutanediamide
CID 66430853
4-(cyclohexylmethoxy)-2-(cyclopropylamino)butanamide
CID 63035322
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
2-(cyclopentylamino)butanoic acid
CID 60998249
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062215

Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid (CID 67333173) is (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid is NC(=O)[C@H](CCC(=O)O)NC1CCCC1.
What is the InChIKey of (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid?
The InChIKey is AFFGJTPPCCPIES-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-10(15)8(5-6-9(13)14)12-7-3-1-2-4-7/h7-8,12H,1-6H2,(H2,11,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid?
(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid is sourced from PubChem (CID 67333173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).