2-(benzylcarbamoylamino)-3-hydroxypropanoic acid

C11H14N2O4 — CID 61183567

IUPAC2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
SMILESO=C(NCc1ccccc1)NC(CO)C(=O)O
InChIInChI=1S/C11H14N2O4/c14-7-9(10(15)16)13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)
InChIKeyBPTXMAUIQXFKJR-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.07
Rot. Bonds5

About 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid

2-(benzylcarbamoylamino)-3-hydroxypropanoic acid (PubChem CID 61183567) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
PubChem CID61183567
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
SMILESO=C(NCc1ccccc1)NC(CO)C(=O)O
InChIInChI=1S/C11H14N2O4/c14-7-9(10(15)16)13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)
InChIKeyBPTXMAUIQXFKJR-UHFFFAOYSA-N
XLogP-0.07
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
2-[(4-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 106900478
(2R)-2-[(3-bromophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80756236
2-[(3-chlorophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 62533963
(2S)-2-[(4-cyanophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 55053951
4-amino-2-(benzylcarbamoylamino)-4-oxobutanoic acid
CID 61183397
2-[(3-cyanophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 55062272
(2S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 64694950
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
CID 74321598

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid (CID 61183567) is 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid is O=C(NCc1ccccc1)NC(CO)C(=O)O.
What is the InChIKey of 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid?
The InChIKey is BPTXMAUIQXFKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-7-9(10(15)16)13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17).
What are the key properties of 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid?
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 61183567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).