1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H21N3O3 — CID 61403018

IUPAC1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNC1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C12H21N3O3/c13-9-3-7-15(8-4-9)11(18)14-12(10(16)17)5-1-2-6-12/h9H,1-8,13H2,(H,14,18)(H,16,17)
InChIKeyDEBVTMDEAMLYHN-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.52
Rot. Bonds2

About 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 61403018) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID61403018
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNC1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C12H21N3O3/c13-9-3-7-15(8-4-9)11(18)14-12(10(16)17)5-1-2-6-12/h9H,1-8,13H2,(H,14,18)(H,16,17)
InChIKeyDEBVTMDEAMLYHN-UHFFFAOYSA-N
XLogP0.52
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61403065
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
1-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61405040
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81155811
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 82691045
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 61403018) is 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is NC1CCN(C(=O)NC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DEBVTMDEAMLYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-9-3-7-15(8-4-9)11(18)14-12(10(16)17)5-1-2-6-12/h9H,1-8,13H2,(H,14,18)(H,16,17).
What are the key properties of 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61403018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).