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

C10H11BrN2O3 — CID 5424153

IUPAC(2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrN2O3/c1-6(9(14)15)12-10(16)13-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,14,15)(H2,12,13,16)/t6-/m0/s1
InChIKeyUIFJDQMUQYXNJW-LURJTMIESA-N
MW287.11 g/mol
LogP2.04
Rot. Bonds3

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

(2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid (PubChem CID 5424153) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid
PubChem CID5424153
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name(2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrN2O3/c1-6(9(14)15)12-10(16)13-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,14,15)(H2,12,13,16)/t6-/m0/s1
InChIKeyUIFJDQMUQYXNJW-LURJTMIESA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid (CID 5424153) is (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid is C[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid?
The InChIKey is UIFJDQMUQYXNJW-LURJTMIESA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-6(9(14)15)12-10(16)13-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,14,15)(H2,12,13,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid?
(2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid has a molecular weight of 287.11 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-bromophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 5424153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).