(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid

C13H18N2O4 — CID 80749854

IUPAC(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(C(=O)N[C@H](CO)C(=O)O)c1ccccc1C
InChIInChI=1S/C13H18N2O4/c1-3-15(11-7-5-4-6-9(11)2)13(19)14-10(8-16)12(17)18/h4-7,10,16H,3,8H2,1-2H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyZLLSRHHWDVJAIS-SNVBAGLBSA-N
MW266.30 g/mol
LogP0.98
Rot. Bonds5

About (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 80749854) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID80749854
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(C(=O)N[C@H](CO)C(=O)O)c1ccccc1C
InChIInChI=1S/C13H18N2O4/c1-3-15(11-7-5-4-6-9(11)2)13(19)14-10(8-16)12(17)18/h4-7,10,16H,3,8H2,1-2H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyZLLSRHHWDVJAIS-SNVBAGLBSA-N
XLogP0.98
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467078
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 107737365
(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829638
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-yloxamide
CID 47332754
3-[2-methyl-N-(pentan-3-ylcarbamoyl)anilino]propanoic acid
CID 61188137
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pent-4-ynoic acid
CID 107737068
3-(N-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylanilino)propanoic acid
CID 104553144

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 80749854) is (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid is CCN(C(=O)N[C@H](CO)C(=O)O)c1ccccc1C.
What is the InChIKey of (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is ZLLSRHHWDVJAIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-15(11-7-5-4-6-9(11)2)13(19)14-10(8-16)12(17)18/h4-7,10,16H,3,8H2,1-2H3,(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80749854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).