2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid

C14H17N3O2 — CID 116857492

IUPAC2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid
SMILESCN(C1CC1)C(C(=O)O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H17N3O2/c1-16-8-15-11-7-9(3-6-12(11)16)13(14(18)19)17(2)10-4-5-10/h3,6-8,10,13H,4-5H2,1-2H3,(H,18,19)
InChIKeyOUFJXTNOUHMTLD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.79
Rot. Bonds4

About 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid

2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid (PubChem CID 116857492) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid
PubChem CID116857492
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid
SMILESCN(C1CC1)C(C(=O)O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H17N3O2/c1-16-8-15-11-7-9(3-6-12(11)16)13(14(18)19)17(2)10-4-5-10/h3,6-8,10,13H,4-5H2,1-2H3,(H,18,19)
InChIKeyOUFJXTNOUHMTLD-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 112514944
methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
CID 116910227
4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
CID 115149791
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
4-hydroxy-4-(1-methylbenzimidazol-5-yl)butanoic acid
CID 82347089
5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole
CID 139905735
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid (CID 116857492) is 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid is CN(C1CC1)C(C(=O)O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid?
The InChIKey is OUFJXTNOUHMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-8-15-11-7-9(3-6-12(11)16)13(14(18)19)17(2)10-4-5-10/h3,6-8,10,13H,4-5H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid?
2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid has a molecular weight of 259.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 116857492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).