(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid

C11H12ClNO3 — CID 12013692

IUPAC(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
SMILESC[C@@](Cc1cccc(Cl)c1)(C(N)=O)C(=O)O
InChIInChI=1S/C11H12ClNO3/c1-11(9(13)14,10(15)16)6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)/t11-/m1/s1
InChIKeyRACZAKVEJYOUQH-LLVKDONJSA-N
MW241.67 g/mol
LogP1.46
Rot. Bonds4

About (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid

(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid (PubChem CID 12013692) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
PubChem CID12013692
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
SMILESC[C@@](Cc1cccc(Cl)c1)(C(N)=O)C(=O)O
InChIInChI=1S/C11H12ClNO3/c1-11(9(13)14,10(15)16)6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)/t11-/m1/s1
InChIKeyRACZAKVEJYOUQH-LLVKDONJSA-N
XLogP1.46
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-[(3,4-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899920
3-amino-2-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899867
4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
CID 84726327
3-amino-2-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 105411814
3-amino-2-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899828
acetic acid;(3-chlorophenyl)methanamine
CID 174881740
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
CID 119339868
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733
3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
CID 104580168

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid?
The IUPAC name of (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid (CID 12013692) is (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid is C[C@@](Cc1cccc(Cl)c1)(C(N)=O)C(=O)O.
What is the InChIKey of (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid?
The InChIKey is RACZAKVEJYOUQH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-11(9(13)14,10(15)16)6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid?
(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid has a molecular weight of 241.67 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 12013692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).