5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid

C12H22N2O3 — CID 54988943

IUPAC5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid
SMILESNC(=O)CN(CCCCC(=O)O)C1CCCC1
InChIInChI=1S/C12H22N2O3/c13-11(15)9-14(10-5-1-2-6-10)8-4-3-7-12(16)17/h10H,1-9H2,(H2,13,15)(H,16,17)
InChIKeyCCZCATAJIQVNMX-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.97
Rot. Bonds8

About 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid

5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid (PubChem CID 54988943) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid
PubChem CID54988943
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid
SMILESNC(=O)CN(CCCCC(=O)O)C1CCCC1
InChIInChI=1S/C12H22N2O3/c13-11(15)9-14(10-5-1-2-6-10)8-4-3-7-12(16)17/h10H,1-9H2,(H2,13,15)(H,16,17)
InChIKeyCCZCATAJIQVNMX-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
2-[3-cyanopropyl(cyclopentyl)amino]acetamide
CID 55028706
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735
2-[cyclopentyl(hept-6-enyl)amino]acetic acid
CID 107007803
3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid
CID 82326771
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid (CID 54988943) is 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid is NC(=O)CN(CCCCC(=O)O)C1CCCC1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid?
The InChIKey is CCZCATAJIQVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-11(15)9-14(10-5-1-2-6-10)8-4-3-7-12(16)17/h10H,1-9H2,(H2,13,15)(H,16,17).
What are the key properties of 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid?
5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid is sourced from PubChem (CID 54988943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).