(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid

C14H17ClN2O3 — CID 107316001

IUPAC(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC1CCCN1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-5-4-8-17(9)14(20)16-12(13(18)19)10-6-2-3-7-11(10)15/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1
InChIKeyCOFMVYMQTQPLKL-FFFFSGIJSA-N
MW296.75 g/mol
LogP2.66
Rot. Bonds3

About (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 107316001) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID107316001
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC1CCCN1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-5-4-8-17(9)14(20)16-12(13(18)19)10-6-2-3-7-11(10)15/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1
InChIKeyCOFMVYMQTQPLKL-FFFFSGIJSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid (CID 107316001) is (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid is CC1CCCN1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is COFMVYMQTQPLKL-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-5-4-8-17(9)14(20)16-12(13(18)19)10-6-2-3-7-11(10)15/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 296.75 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107316001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).