2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid

C10H10Br2N2O4 — CID 107601798

IUPAC2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESO=C(Nc1c(Br)cccc1Br)NC(CO)C(=O)O
InChIInChI=1S/C10H10Br2N2O4/c11-5-2-1-3-6(12)8(5)14-10(18)13-7(4-15)9(16)17/h1-3,7,15H,4H2,(H,16,17)(H2,13,14,18)
InChIKeyKRVDUSPTVVTQHF-UHFFFAOYSA-N
MW382.01 g/mol
LogP1.78
Rot. Bonds4

About 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid

2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 107601798) has the molecular formula C10H10Br2N2O4 and a molecular weight of 382.01 g/mol. Its IUPAC name is 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID107601798
Molecular FormulaC10H10Br2N2O4
Molecular Weight382.01 g/mol
Exact Mass379.90
IUPAC Name2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESO=C(Nc1c(Br)cccc1Br)NC(CO)C(=O)O
InChIInChI=1S/C10H10Br2N2O4/c11-5-2-1-3-6(12)8(5)14-10(18)13-7(4-15)9(16)17/h1-3,7,15H,4H2,(H,16,17)(H2,13,14,18)
InChIKeyKRVDUSPTVVTQHF-UHFFFAOYSA-N
XLogP1.78
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.01
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191334
4-amino-2-[(2,6-dibromophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107601699
(2S)-2-[(2,6-dibromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107601668
(2S)-2-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005952
(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757028
3-[(2,6-dibromophenyl)carbamoylamino]pentanoic acid
CID 107601726
(2S)-3-hydroxy-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 61181326
(2S)-2-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 107601893
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107949365
(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 80750323
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 102854365
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191039

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid (CID 107601798) is 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid is O=C(Nc1c(Br)cccc1Br)NC(CO)C(=O)O.
What is the InChIKey of 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is KRVDUSPTVVTQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O4/c11-5-2-1-3-6(12)8(5)14-10(18)13-7(4-15)9(16)17/h1-3,7,15H,4H2,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid?
2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 382.01 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 107601798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).