2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid

C10H15N3O2 — CID 66116524

IUPAC2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid
SMILESCn1cncc1CNC(C(=O)O)C1CC1
InChIInChI=1S/C10H15N3O2/c1-13-6-11-4-8(13)5-12-9(10(14)15)7-2-3-7/h4,6-7,9,12H,2-3,5H2,1H3,(H,14,15)
InChIKeyMWEWICCKRLDHMO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.37
Rot. Bonds5

About 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid

2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid (PubChem CID 66116524) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid
PubChem CID66116524
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid
SMILESCn1cncc1CNC(C(=O)O)C1CC1
InChIInChI=1S/C10H15N3O2/c1-13-6-11-4-8(13)5-12-9(10(14)15)7-2-3-7/h4,6-7,9,12H,2-3,5H2,1H3,(H,14,15)
InChIKeyMWEWICCKRLDHMO-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid
CID 107044903
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
CID 63002220
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655308
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
3-(3,4-dimethylphenyl)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 166253816
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112690593

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid (CID 66116524) is 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid is Cn1cncc1CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid?
The InChIKey is MWEWICCKRLDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-6-11-4-8(13)5-12-9(10(14)15)7-2-3-7/h4,6-7,9,12H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid is sourced from PubChem (CID 66116524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).