(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid

C10H11BrN2O4 — CID 61191334

IUPAC(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESO=C(Nc1ccccc1Br)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H11BrN2O4/c11-6-3-1-2-4-7(6)12-10(17)13-8(5-14)9(15)16/h1-4,8,14H,5H2,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyODCNYIHKZHHNPX-QMMMGPOBSA-N
MW303.11 g/mol
LogP1.02
Rot. Bonds4

About (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid

(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 61191334) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID61191334
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESO=C(Nc1ccccc1Br)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H11BrN2O4/c11-6-3-1-2-4-7(6)12-10(17)13-8(5-14)9(15)16/h1-4,8,14H,5H2,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyODCNYIHKZHHNPX-QMMMGPOBSA-N
XLogP1.02
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107601798
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
2-[(2-bromophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61190148
(2S)-3-hydroxy-2-[(2-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 107642413
(2S)-2-[(2-bromophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61190311
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 102854365
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61183463
(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 80755851
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
(2S)-2-[(3-bromoquinolin-8-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 104893264
(2S)-2-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107593230

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid (CID 61191334) is (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid is O=C(Nc1ccccc1Br)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is ODCNYIHKZHHNPX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c11-6-3-1-2-4-7(6)12-10(17)13-8(5-14)9(15)16/h1-4,8,14H,5H2,(H,15,16)(H2,12,13,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid?
(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 303.11 g/mol, XLogP of 1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61191334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).