2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid

C10H17N3O2 — CID 60840145

IUPAC2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1nccn1C
InChIInChI=1S/C10H17N3O2/c1-8(2)13(7-10(14)15)6-9-11-4-5-12(9)3/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyGDBPZWJZSRBXCZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.72
Rot. Bonds5

About 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid

2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid (PubChem CID 60840145) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
PubChem CID60840145
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1nccn1C
InChIInChI=1S/C10H17N3O2/c1-8(2)13(7-10(14)15)6-9-11-4-5-12(9)3/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyGDBPZWJZSRBXCZ-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine
CID 50965346
2-[(1-methylimidazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79277151
4-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]-propan-2-ylamino]butanoic acid
CID 63026911
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
3-[ethyl-[(1-methylimidazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62852079
2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid
CID 62131479
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 55144045
2-methyl-3-[2-(1-methylimidazol-2-yl)ethylsulfonyl]propanoic acid
CID 114527980
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 114531717
3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 63026905
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid (CID 60840145) is 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)Cc1nccn1C.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is GDBPZWJZSRBXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)13(7-10(14)15)6-9-11-4-5-12(9)3/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid?
2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60840145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).