2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid

C15H26N2O3 — CID 79801990

IUPAC2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCCC1C1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-15(2,13(18)19)16-14(20)17-10-6-9-12(17)11-7-4-5-8-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNSROKSCVYPFXIV-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds4

About 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid

2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79801990) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79801990
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCCC1C1CCCC1)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-15(2,13(18)19)16-14(20)17-10-6-9-12(17)11-7-4-5-8-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNSROKSCVYPFXIV-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-methylbutanoic acid
CID 79801133
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65320041
2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-2-cyclopropylpropanoic acid
CID 61204859
2-[(2-ethylazepane-1-carbonyl)amino]-2-methylbutanoic acid
CID 113441850
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 115695145
2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535126
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 102725623
(2S)-2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]hexanoic acid
CID 107146655
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003595
(2S)-2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-methylpentanoic acid
CID 61206521

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 79801990) is 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N1CCCC1C1CCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is NSROKSCVYPFXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-15(2,13(18)19)16-14(20)17-10-6-9-12(17)11-7-4-5-8-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79801990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).