2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid

C16H28N2O3 — CID 81048851

IUPAC2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
SMILESCC(CC(=O)N(CC(=O)O)C1CCCC1)C1CCCNC1
InChIInChI=1S/C16H28N2O3/c1-12(13-5-4-8-17-10-13)9-15(19)18(11-16(20)21)14-6-2-3-7-14/h12-14,17H,2-11H2,1H3,(H,20,21)
InChIKeyHXFGCNLVSNQIQE-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds6

About 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid

2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid (PubChem CID 81048851) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
PubChem CID81048851
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
SMILESCC(CC(=O)N(CC(=O)O)C1CCCC1)C1CCCNC1
InChIInChI=1S/C16H28N2O3/c1-12(13-5-4-8-17-10-13)9-15(19)18(11-16(20)21)14-6-2-3-7-14/h12-14,17H,2-11H2,1H3,(H,20,21)
InChIKeyHXFGCNLVSNQIQE-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
CID 81043537
N-cyclopropyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide
CID 81043582
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid (CID 81048851) is 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid is CC(CC(=O)N(CC(=O)O)C1CCCC1)C1CCCNC1.
What is the InChIKey of 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid?
The InChIKey is HXFGCNLVSNQIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(13-5-4-8-17-10-13)9-15(19)18(11-16(20)21)14-6-2-3-7-14/h12-14,17H,2-11H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid?
2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid is sourced from PubChem (CID 81048851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).