(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid

C12H16N2O5 — CID 107737365

IUPAC(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(C(=O)N[C@@H](CO)C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H16N2O5/c1-2-14(8-4-3-5-9(16)6-8)12(19)13-10(7-15)11(17)18/h3-6,10,15-16H,2,7H2,1H3,(H,13,19)(H,17,18)/t10-/m0/s1
InChIKeyDPQDZPYVRIVKRM-JTQLQIEISA-N
MW268.27 g/mol
LogP0.37
Rot. Bonds5

About (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 107737365) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID107737365
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(C(=O)N[C@@H](CO)C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H16N2O5/c1-2-14(8-4-3-5-9(16)6-8)12(19)13-10(7-15)11(17)18/h3-6,10,15-16H,2,7H2,1H3,(H,13,19)(H,17,18)/t10-/m0/s1
InChIKeyDPQDZPYVRIVKRM-JTQLQIEISA-N
XLogP0.37
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80749854
(2S)-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 107145902
2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid
CID 61191995
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
2-acetamido-3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736755
3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 107737452
5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid
CID 107737356
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726
2-[[2-cyanoethyl(phenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61193258
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 107737365) is (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid is CCN(C(=O)N[C@@H](CO)C(=O)O)c1cccc(O)c1.
What is the InChIKey of (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is DPQDZPYVRIVKRM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-14(8-4-3-5-9(16)6-8)12(19)13-10(7-15)11(17)18/h3-6,10,15-16H,2,7H2,1H3,(H,13,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 107737365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).