2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid

C13H22N2O3 — CID 55257886

IUPAC2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCC1CC1CN(C)C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H22N2O3/c1-9-6-10(9)8-14(2)13(18)15-5-3-4-11(15)7-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyNGBNJBPFRPQXLQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.63
Rot. Bonds4

About 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 55257886) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID55257886
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCC1CC1CN(C)C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H22N2O3/c1-9-6-10(9)8-14(2)13(18)15-5-3-4-11(15)7-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyNGBNJBPFRPQXLQ-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80516214
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
2-[1-[methyl(3-methylsulfanylpropyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114237788
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 104552989
2-[1-[cyclopropylmethyl(propan-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55000168
2-[1-[(4-bromophenyl)methyl-methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61415894
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
2-[1-[(4-ethylcyclohexyl)-methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61449491
2-[1-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55012085
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369802
2-[1-(2,4-dimethylpiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 62332214

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid (CID 55257886) is 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid is CC1CC1CN(C)C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is NGBNJBPFRPQXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-6-10(9)8-14(2)13(18)15-5-3-4-11(15)7-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 55257886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).