2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid

C12H14ClNO3 — CID 119346309

IUPAC2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
SMILESCC(C(=O)N(C)CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO3/c1-8(9-4-3-5-10(13)6-9)12(17)14(2)7-11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyOHUNERFEKOHEBJ-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.99
Rot. Bonds4

About 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid

2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid (PubChem CID 119346309) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
PubChem CID119346309
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
SMILESCC(C(=O)N(C)CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO3/c1-8(9-4-3-5-10(13)6-9)12(17)14(2)7-11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyOHUNERFEKOHEBJ-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-chlorophenyl)-3-methylbutanoyl]-methylamino]acetic acid
CID 119346472
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
2-[1-(3-chlorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65056740
3-(3-chlorophenyl)butanoic acid
CID 71683749
2-[1-(3-chlorophenyl)propyl-(2-methylpropyl)amino]acetic acid
CID 65064776
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
CID 119943058
(2S)-N-methyl-N-phenacyl-2-phenylpropanamide
CID 78324200
2-[[(3-chlorophenyl)methyl-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61417134
2-[(4-chloro-2-ethylsulfanylbenzoyl)-methylamino]acetic acid
CID 120684484
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid (CID 119346309) is 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid is CC(C(=O)N(C)CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid?
The InChIKey is OHUNERFEKOHEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8(9-4-3-5-10(13)6-9)12(17)14(2)7-11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid?
2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid has a molecular weight of 255.70 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid is sourced from PubChem (CID 119346309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).