(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid

C10H11N3O2 — CID 54541903

IUPAC(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
SMILESC[C@H](Nc1nc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-6(9(14)15)11-10-12-7-4-2-3-5-8(7)13-10/h2-6H,1H3,(H,14,15)(H2,11,12,13)/t6-/m0/s1
InChIKeyZDUOMNKRRBINRI-LURJTMIESA-N
MW205.22 g/mol
LogP1.45
Rot. Bonds3

About (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid

(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid (PubChem CID 54541903) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
PubChem CID54541903
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
SMILESC[C@H](Nc1nc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-6(9(14)15)11-10-12-7-4-2-3-5-8(7)13-10/h2-6H,1H3,(H,14,15)(H2,11,12,13)/t6-/m0/s1
InChIKeyZDUOMNKRRBINRI-LURJTMIESA-N
XLogP1.45
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(1H-benzimidazol-2-ylamino)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

(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
2-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)amino]propanoic acid
CID 82563190
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylamino)propanoic acid
CID 82562894
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
(2R)-2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]propanoic acid
CID 119369735
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 65191883
1-[4-(1H-benzimidazol-2-ylamino)phenyl]-3-methylbutan-2-one
CID 59609955
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid (CID 54541903) is (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid is C[C@H](Nc1nc2ccccc2[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid?
The InChIKey is ZDUOMNKRRBINRI-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(9(14)15)11-10-12-7-4-2-3-5-8(7)13-10/h2-6H,1H3,(H,14,15)(H2,11,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid?
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid is sourced from PubChem (CID 54541903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).