2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid

C10H15N3O2 — CID 63919889

IUPAC2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid
SMILESCNC(Cn1ccnc1)(C(=O)O)C1CC1
InChIInChI=1S/C10H15N3O2/c1-11-10(9(14)15,8-2-3-8)6-13-5-4-12-7-13/h4-5,7-8,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyFTOOPRHHAZBGHF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.34
Rot. Bonds5

About 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid

2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid (PubChem CID 63919889) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid
PubChem CID63919889
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid
SMILESCNC(Cn1ccnc1)(C(=O)O)C1CC1
InChIInChI=1S/C10H15N3O2/c1-11-10(9(14)15,8-2-3-8)6-13-5-4-12-7-13/h4-5,7-8,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyFTOOPRHHAZBGHF-UHFFFAOYSA-N
XLogP0.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide
CID 63920086
2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide
CID 63919890
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile
CID 63906457
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propanoic acid
CID 63927246
calcium;hydride;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
CID 173032370
N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine
CID 79620812
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
1-(cyclooctylmethyl)imidazole
CID 20550238
imidazol-1-ylmethylcarbamic acid
CID 175455215
2-imidazol-1-yl-1-(oxan-4-yl)ethanone
CID 130863688

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid (CID 63919889) is 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid is CNC(Cn1ccnc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid?
The InChIKey is FTOOPRHHAZBGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-11-10(9(14)15,8-2-3-8)6-13-5-4-12-7-13/h4-5,7-8,11H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid?
2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid is sourced from PubChem (CID 63919889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).