2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid

C13H22N2O3 — CID 106980598

IUPAC2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC(C)C1(C(=O)NC(C(=O)O)C2CC2)CCNC1
InChIInChI=1S/C13H22N2O3/c1-8(2)13(5-6-14-7-13)12(18)15-10(11(16)17)9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUXNQAMNYQGXPFF-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.60
Rot. Bonds5

About 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 106980598) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID106980598
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC(C)C1(C(=O)NC(C(=O)O)C2CC2)CCNC1
InChIInChI=1S/C13H22N2O3/c1-8(2)13(5-6-14-7-13)12(18)15-10(11(16)17)9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUXNQAMNYQGXPFF-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142263
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980329
(2R)-4-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980494
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979756
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980283

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid (CID 106980598) is 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid is CC(C)C1(C(=O)NC(C(=O)O)C2CC2)CCNC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is UXNQAMNYQGXPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(2)13(5-6-14-7-13)12(18)15-10(11(16)17)9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 106980598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).