2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid

C11H20N2O3 — CID 64813097

IUPAC2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCNCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-6-12-7-10(14)13-9-5-3-4-8(9)11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyBPOCLVLQCYTBDT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds6

About 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid

2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64813097) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64813097
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCNCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-6-12-7-10(14)13-9-5-3-4-8(9)11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyBPOCLVLQCYTBDT-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
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-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
CID 64814150
N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 167012042
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288
4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473587
2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103555673
2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid
CID 81079851
2-(cyclopropylmethylamino)-N-(2-methylcyclopentyl)acetamide
CID 63281463

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 64813097) is 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid is CCCNCC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is BPOCLVLQCYTBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-6-12-7-10(14)13-9-5-3-4-8(9)11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).