(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid

C14H18ClNO3 — CID 107314468

IUPAC(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
SMILESCCC(C)CC(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-3-9(2)8-12(17)16-13(14(18)19)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3,(H,16,17)(H,18,19)/t9?,13-/m1/s1
InChIKeyGCNITXZGMXJAKT-WCRCJTMVSA-N
MW283.75 g/mol
LogP3.02
Rot. Bonds6

About (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid (PubChem CID 107314468) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
PubChem CID107314468
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
SMILESCCC(C)CC(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-3-9(2)8-12(17)16-13(14(18)19)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3,(H,16,17)(H,18,19)/t9?,13-/m1/s1
InChIKeyGCNITXZGMXJAKT-WCRCJTMVSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-(2-chlorophenyl)-2-(2-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107315962
(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315289
(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
CID 107316130
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
(2R)-2-(but-3-en-2-ylcarbamoylamino)-2-(2-chlorophenyl)acetic acid
CID 107316144
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid (CID 107314468) is (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid is CCC(C)CC(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid?
The InChIKey is GCNITXZGMXJAKT-WCRCJTMVSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-9(2)8-12(17)16-13(14(18)19)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3,(H,16,17)(H,18,19)/t9?,13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid has a molecular weight of 283.75 g/mol, XLogP of 3.02, 6 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-(3-methylpentanoylamino)acetic acid is sourced from PubChem (CID 107314468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).