(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid

C14H17ClN2O4 — CID 107316188

IUPAC(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
SMILESCOC1CCN(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)C1
InChIInChI=1S/C14H17ClN2O4/c1-21-9-6-7-17(8-9)14(20)16-12(13(18)19)10-4-2-3-5-11(10)15/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1
InChIKeyKMYNHCSLYFFLTN-FFFFSGIJSA-N
MW312.75 g/mol
LogP1.90
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 107316188) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID107316188
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
SMILESCOC1CCN(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)C1
InChIInChI=1S/C14H17ClN2O4/c1-21-9-6-7-17(8-9)14(20)16-12(13(18)19)10-4-2-3-5-11(10)15/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1
InChIKeyKMYNHCSLYFFLTN-FFFFSGIJSA-N
XLogP1.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid
CID 107315934
(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107316001
(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 167980238
1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015572
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536327
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid (CID 107316188) is (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid is COC1CCN(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)C1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is KMYNHCSLYFFLTN-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-21-9-6-7-17(8-9)14(20)16-12(13(18)19)10-4-2-3-5-11(10)15/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 312.75 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107316188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).