2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid

C10H11N3O2 — CID 82396347

IUPAC2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
SMILESCn1cnc2cc(C(N)C(=O)O)ccc21
InChIInChI=1S/C10H11N3O2/c1-13-5-12-7-4-6(2-3-8(7)13)9(11)10(14)15/h2-5,9H,11H2,1H3,(H,14,15)
InChIKeyPNKNTBVUSPEQAV-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.66
Rot. Bonds2

About 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid

2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid (PubChem CID 82396347) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
PubChem CID82396347
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
SMILESCn1cnc2cc(C(N)C(=O)O)ccc21
InChIInChI=1S/C10H11N3O2/c1-13-5-12-7-4-6(2-3-8(7)13)9(11)10(14)15/h2-5,9H,11H2,1H3,(H,14,15)
InChIKeyPNKNTBVUSPEQAV-UHFFFAOYSA-N
XLogP0.66
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
4-hydroxy-4-(1-methylbenzimidazol-5-yl)butanoic acid
CID 82347089
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274
2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 116857492
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
CID 116935373
methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
CID 116910227
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
3-amino-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116940438

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid (CID 82396347) is 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid is Cn1cnc2cc(C(N)C(=O)O)ccc21.
What is the InChIKey of 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid?
The InChIKey is PNKNTBVUSPEQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-5-12-7-4-6(2-3-8(7)13)9(11)10(14)15/h2-5,9H,11H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid?
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid has a molecular weight of 205.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82396347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).