(2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid

C15H19ClN2O3 — CID 107315099

IUPAC(2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
SMILESCCC1(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)CCCN1
InChIInChI=1S/C15H19ClN2O3/c1-2-15(8-5-9-17-15)14(21)18-12(13(19)20)10-6-3-4-7-11(10)16/h3-4,6-7,12,17H,2,5,8-9H2,1H3,(H,18,21)(H,19,20)/t12-,15?/m1/s1
InChIKeyRLMIJYHJFRZNTA-KEKZHRQWSA-N
MW310.78 g/mol
LogP2.11
Rot. Bonds5

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

(2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid (PubChem CID 107315099) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
PubChem CID107315099
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
SMILESCCC1(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)CCCN1
InChIInChI=1S/C15H19ClN2O3/c1-2-15(8-5-9-17-15)14(21)18-12(13(19)20)10-6-3-4-7-11(10)16/h3-4,6-7,12,17H,2,5,8-9H2,1H3,(H,18,21)(H,19,20)/t12-,15?/m1/s1
InChIKeyRLMIJYHJFRZNTA-KEKZHRQWSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid (CID 107315099) is (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid is CCC1(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)CCCN1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid?
The InChIKey is RLMIJYHJFRZNTA-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-15(8-5-9-17-15)14(21)18-12(13(19)20)10-6-3-4-7-11(10)16/h3-4,6-7,12,17H,2,5,8-9H2,1H3,(H,18,21)(H,19,20)/t12-,15?/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid has a molecular weight of 310.78 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 107315099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).