methyl 2-(1H-benzimidazol-2-ylamino)propanoate

C11H13N3O2 — CID 51059105

IUPACmethyl 2-(1H-benzimidazol-2-ylamino)propanoate
SMILESCOC(=O)C(C)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-7(10(15)16-2)12-11-13-8-5-3-4-6-9(8)14-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyGXYRYWFIZVPZMF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.54
Rot. Bonds3

About methyl 2-(1H-benzimidazol-2-ylamino)propanoate

methyl 2-(1H-benzimidazol-2-ylamino)propanoate (PubChem CID 51059105) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-(1H-benzimidazol-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(1H-benzimidazol-2-ylamino)propanoate
PubChem CID51059105
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-(1H-benzimidazol-2-ylamino)propanoate
SMILESCOC(=O)C(C)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-7(10(15)16-2)12-11-13-8-5-3-4-6-9(8)14-11/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyGXYRYWFIZVPZMF-UHFFFAOYSA-N
XLogP1.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 65191883
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
2-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)amino]propanoic acid
CID 82563190
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
2-(1H-benzimidazol-2-yl)-2-methoxyacetamide
CID 118108500
1-[4-(1H-benzimidazol-2-ylamino)phenyl]-3-methylbutan-2-one
CID 59609955
CID 87571724
CID 87571724
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-benzimidazol-2-ylamino)propanoate?
The IUPAC name of methyl 2-(1H-benzimidazol-2-ylamino)propanoate (CID 51059105) is methyl 2-(1H-benzimidazol-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-(1H-benzimidazol-2-ylamino)propanoate?
The canonical SMILES for methyl 2-(1H-benzimidazol-2-ylamino)propanoate is COC(=O)C(C)Nc1nc2ccccc2[nH]1.
What is the InChIKey of methyl 2-(1H-benzimidazol-2-ylamino)propanoate?
The InChIKey is GXYRYWFIZVPZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(10(15)16-2)12-11-13-8-5-3-4-6-9(8)14-11/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of methyl 2-(1H-benzimidazol-2-ylamino)propanoate?
methyl 2-(1H-benzimidazol-2-ylamino)propanoate has a molecular weight of 219.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-benzimidazol-2-ylamino)propanoate is sourced from PubChem (CID 51059105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).