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

C12H20N2O3 — CID 83071456

IUPAC2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
SMILESCCC1(C(=O)NC(C(=O)O)C2CC2)CCCN1
InChIInChI=1S/C12H20N2O3/c1-2-12(6-3-7-13-12)11(17)14-9(10(15)16)8-4-5-8/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRJCRXJDPCIWBOJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.50
Rot. Bonds5

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

2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid (PubChem CID 83071456) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
PubChem CID83071456
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
SMILESCCC1(C(=O)NC(C(=O)O)C2CC2)CCCN1
InChIInChI=1S/C12H20N2O3/c1-2-12(6-3-7-13-12)11(17)14-9(10(15)16)8-4-5-8/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRJCRXJDPCIWBOJ-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071544
2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 83072051
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
(2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901997
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108847
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390
methyl (2S)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylbutanoate
CID 83071488
2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 83072401
2-cyclopropyl-2-[(1-ethylcyclopentyl)methylcarbamoylamino]acetic acid
CID 114126135
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83071541
1-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 83072608

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid (CID 83071456) is 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid is CCC1(C(=O)NC(C(=O)O)C2CC2)CCCN1.
What is the InChIKey of 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid?
The InChIKey is RJCRXJDPCIWBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-12(6-3-7-13-12)11(17)14-9(10(15)16)8-4-5-8/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 83071456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).