(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid

C14H20N2O4 — CID 107828101

IUPAC(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
SMILESCCc1ccccc1CNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-10-5-3-4-6-11(10)9-15-14(20)16-12(7-8-17)13(18)19/h3-6,12,17H,2,7-9H2,1H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1
InChIKeyBJYGFMHSFXIIIJ-GFCCVEGCSA-N
MW280.32 g/mol
LogP0.88
Rot. Bonds7

About (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107828101) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
PubChem CID107828101
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
SMILESCCc1ccccc1CNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-10-5-3-4-6-11(10)9-15-14(20)16-12(7-8-17)13(18)19/h3-6,12,17H,2,7-9H2,1H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1
InChIKeyBJYGFMHSFXIIIJ-GFCCVEGCSA-N
XLogP0.88
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 64694950
2-[(2-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 61413925
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828790
(2S,3S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 64696173
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid
CID 80741384
2-[(4-fluorophenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 61229882
(2S)-2-[(2-fluorophenyl)methylcarbamoylamino]pentanedioic acid
CID 61189681
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
2-[(2,5-dimethylphenyl)methylcarbamoylamino]pentanoic acid
CID 60707388
(2R)-4-hydroxy-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 107828406

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid (CID 107828101) is (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid is CCc1ccccc1CNC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is BJYGFMHSFXIIIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-10-5-3-4-6-11(10)9-15-14(20)16-12(7-8-17)13(18)19/h3-6,12,17H,2,7-9H2,1H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107828101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).