(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid

C10H13N3O3 — CID 141451014

IUPAC(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
SMILESNC(=O)Nc1ccccc1C[C@H](N)C(=O)O
InChIInChI=1S/C10H13N3O3/c11-7(9(14)15)5-6-3-1-2-4-8(6)13-10(12)16/h1-4,7H,5,11H2,(H,14,15)(H3,12,13,16)/t7-/m0/s1
InChIKeyVJIRUDXPBNYENS-ZETCQYMHSA-N
MW223.23 g/mol
LogP0.13
Rot. Bonds4

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

(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid (PubChem CID 141451014) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
PubChem CID141451014
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
SMILESNC(=O)Nc1ccccc1C[C@H](N)C(=O)O
InChIInChI=1S/C10H13N3O3/c11-7(9(14)15)5-6-3-1-2-4-8(6)13-10(12)16/h1-4,7H,5,11H2,(H,14,15)(H3,12,13,16)/t7-/m0/s1
InChIKeyVJIRUDXPBNYENS-ZETCQYMHSA-N
XLogP0.13
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
CID 22395840
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid
CID 91232620
2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
CID 70054981
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499
2-amino-3-[2-amino-3-(2-sulfanylpropanoylamino)phenyl]propanoic acid
CID 44547117
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]acetic acid
CID 62536880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid (CID 141451014) is (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid is NC(=O)Nc1ccccc1C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid?
The InChIKey is VJIRUDXPBNYENS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-7(9(14)15)5-6-3-1-2-4-8(6)13-10(12)16/h1-4,7H,5,11H2,(H,14,15)(H3,12,13,16)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid?
(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 141451014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).