2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid

C13H22N2O3 — CID 106974836

IUPAC2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid
SMILESCCCC1(C(=O)N(CC(=O)O)C2CC2)CCCN1
InChIInChI=1S/C13H22N2O3/c1-2-6-13(7-3-8-14-13)12(18)15(9-11(16)17)10-4-5-10/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyZGKSTCWUOIJYIR-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds6

About 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid

2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid (PubChem CID 106974836) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid
PubChem CID106974836
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid
SMILESCCCC1(C(=O)N(CC(=O)O)C2CC2)CCCN1
InChIInChI=1S/C13H22N2O3/c1-2-6-13(7-3-8-14-13)12(18)15(9-11(16)17)10-4-5-10/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyZGKSTCWUOIJYIR-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methylcyclohexyl)-2-propylpyrrolidine-2-carboxamide
CID 106974976
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974576
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292
N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 83072457
N-cyclopropyl-2-ethyl-N-methylpyrrolidine-2-carboxamide
CID 83080870
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
N-propan-2-yl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974202
N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide
CID 106975650
N-methyl-N-(oxolan-2-ylmethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974973
N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 83071967

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid (CID 106974836) is 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid is CCCC1(C(=O)N(CC(=O)O)C2CC2)CCCN1.
What is the InChIKey of 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid?
The InChIKey is ZGKSTCWUOIJYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-6-13(7-3-8-14-13)12(18)15(9-11(16)17)10-4-5-10/h10,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid?
2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-propylpyrrolidine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 106974836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).