(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid

C11H15N3O3 — CID 66819935

IUPAC(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
SMILESCNC(=O)Nc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15N3O3/c1-13-11(17)14-8-4-2-7(3-5-8)6-9(12)10(15)16/h2-5,9H,6,12H2,1H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeySJLOJFQYQLUFGA-VIFPVBQESA-N
MW237.26 g/mol
LogP0.39
Rot. Bonds4

About (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid

(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid (PubChem CID 66819935) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
PubChem CID66819935
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
SMILESCNC(=O)Nc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15N3O3/c1-13-11(17)14-8-4-2-7(3-5-8)6-9(12)10(15)16/h2-5,9H,6,12H2,1H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeySJLOJFQYQLUFGA-VIFPVBQESA-N
XLogP0.39
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
CID 130323270
(2S)-2-amino-3-[4-(hydroxycarbamoylamino)phenyl]propanoic acid
CID 87167092
(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
CID 157140877
(2S)-2-amino-3-[4-[(2-amino-3-sulfanylpropanoyl)amino]phenyl]propanoic acid
CID 88968357
2-amino-3-[4-[[methyl(nitroso)carbamoyl]amino]phenyl]propanoic acid
CID 23271553
2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
CID 22603322
2-amino-3-[4-(2-oxopropylamino)phenyl]propanoic acid;ethane
CID 145486712
1-(4-benzylphenyl)-3-methylurea
CID 145326557
(2S)-6-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoylamino]-2-aminohexanoic acid
CID 90733818
1-(4-ethylphenyl)-3-methylurea
CID 54250791
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid (CID 66819935) is (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid is CNC(=O)Nc1ccc(C[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid?
The InChIKey is SJLOJFQYQLUFGA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-11(17)14-8-4-2-7(3-5-8)6-9(12)10(15)16/h2-5,9H,6,12H2,1H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.39, 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-[4-(methylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 66819935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).