(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid

C10H15N3O2 — CID 83194284

IUPAC(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
SMILESC[C@H](NCc1cncn1C1CC1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7(10(14)15)12-5-9-4-11-6-13(9)8-2-3-8/h4,6-8,12H,2-3,5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyQNTDEQCDAVGYKU-ZETCQYMHSA-N
MW209.25 g/mol
LogP0.78
Rot. Bonds5

About (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid

(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid (PubChem CID 83194284) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
PubChem CID83194284
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
SMILESC[C@H](NCc1cncn1C1CC1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7(10(14)15)12-5-9-4-11-6-13(9)8-2-3-8/h4,6-8,12H,2-3,5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyQNTDEQCDAVGYKU-ZETCQYMHSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 66163296
2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 66162549
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
CID 104868868
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
2-[(3-cyclopropylimidazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790960
3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 66141599
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114899
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid?
The IUPAC name of (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid (CID 83194284) is (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid is C[C@H](NCc1cncn1C1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid?
The InChIKey is QNTDEQCDAVGYKU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(10(14)15)12-5-9-4-11-6-13(9)8-2-3-8/h4,6-8,12H,2-3,5H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid?
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 83194284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).