cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

C10H15N3O2 — CID 61151381

IUPACcyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)OCC1CC1
InChIInChI=1S/C10H15N3O2/c11-9(3-8-4-12-6-13-8)10(14)15-5-7-1-2-7/h4,6-7,9H,1-3,5,11H2,(H,12,13)/t9-/m0/s1
InChIKeyBIDUINCPBYQCOO-VIFPVBQESA-N
MW209.25 g/mol
LogP0.23
Rot. Bonds5

About cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 61151381) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namecyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID61151381
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namecyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)OCC1CC1
InChIInChI=1S/C10H15N3O2/c11-9(3-8-4-12-6-13-8)10(14)15-5-7-1-2-7/h4,6-7,9H,1-3,5,11H2,(H,12,13)/t9-/m0/s1
InChIKeyBIDUINCPBYQCOO-VIFPVBQESA-N
XLogP0.23
TPSA81.00 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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61150588
2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 106202649
oxiran-2-ylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57325304
oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 104894879
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
chloro (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57466385
nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 87399631
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57194966
(3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 64745914

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (CID 61151381) is cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is N[C@@H](Cc1cnc[nH]1)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is BIDUINCPBYQCOO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O2/c11-9(3-8-4-12-6-13-8)10(14)15-5-7-1-2-7/h4,6-7,9H,1-3,5,11H2,(H,12,13)/t9-/m0/s1.
What are the key properties of cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 209.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 61151381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).