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

C11H17N3O2 — CID 106202649

IUPAC2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESNC(Cc1cnc[nH]1)C(=O)OCCC1CC1
InChIInChI=1S/C11H17N3O2/c12-10(5-9-6-13-7-14-9)11(15)16-4-3-8-1-2-8/h6-8,10H,1-5,12H2,(H,13,14)
InChIKeyYLPFPFLVVKFEDV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.62
Rot. Bonds6

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

2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 106202649) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID106202649
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESNC(Cc1cnc[nH]1)C(=O)OCCC1CC1
InChIInChI=1S/C11H17N3O2/c12-10(5-9-6-13-7-14-9)11(15)16-4-3-8-1-2-8/h6-8,10H,1-5,12H2,(H,13,14)
InChIKeyYLPFPFLVVKFEDV-UHFFFAOYSA-N
XLogP0.62
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.62
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
cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61151381
3,3-dimethylbutyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 66224172
2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57194966
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61278463
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 104563198
butyl 2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
CID 90675049
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323
decyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 176896524
oxiran-2-ylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57325304
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate (CID 106202649) is 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate is NC(Cc1cnc[nH]1)C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is YLPFPFLVVKFEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-10(5-9-6-13-7-14-9)11(15)16-4-3-8-1-2-8/h6-8,10H,1-5,12H2,(H,13,14).
What are the key properties of 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 223.28 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 106202649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).