cyclopropylmethyl 3-amino-2-phenylpropanoate

C13H17NO2 — CID 62878848

IUPACcyclopropylmethyl 3-amino-2-phenylpropanoate
SMILESNCC(C(=O)OCC1CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c14-8-12(11-4-2-1-3-5-11)13(15)16-9-10-6-7-10/h1-5,10,12H,6-9,14H2
InChIKeyJJRVIJBAKYZFJU-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.68
Rot. Bonds5

About cyclopropylmethyl 3-amino-2-phenylpropanoate

cyclopropylmethyl 3-amino-2-phenylpropanoate (PubChem CID 62878848) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cyclopropylmethyl 3-amino-2-phenylpropanoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-amino-2-phenylpropanoate
PubChem CID62878848
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecyclopropylmethyl 3-amino-2-phenylpropanoate
SMILESNCC(C(=O)OCC1CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c14-8-12(11-4-2-1-3-5-11)13(15)16-9-10-6-7-10/h1-5,10,12H,6-9,14H2
InChIKeyJJRVIJBAKYZFJU-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethoxy)-3-oxo-2-phenylpropanoic acid
CID 129239144
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
CID 62876968
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
(1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate
CID 138483088
cyclopropylmethyl 2-benzhydryloxyacetate
CID 57147359
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 62878549
3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one
CID 83227880
3-amino-2-phenyl-N-(thian-4-ylmethyl)propanamide;hydrochloride
CID 119756545
3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
CID 116566931

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-amino-2-phenylpropanoate?
The IUPAC name of cyclopropylmethyl 3-amino-2-phenylpropanoate (CID 62878848) is cyclopropylmethyl 3-amino-2-phenylpropanoate.
What is the SMILES notation for cyclopropylmethyl 3-amino-2-phenylpropanoate?
The canonical SMILES for cyclopropylmethyl 3-amino-2-phenylpropanoate is NCC(C(=O)OCC1CC1)c1ccccc1.
What is the InChIKey of cyclopropylmethyl 3-amino-2-phenylpropanoate?
The InChIKey is JJRVIJBAKYZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-8-12(11-4-2-1-3-5-11)13(15)16-9-10-6-7-10/h1-5,10,12H,6-9,14H2.
What are the key properties of cyclopropylmethyl 3-amino-2-phenylpropanoate?
cyclopropylmethyl 3-amino-2-phenylpropanoate has a molecular weight of 219.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-amino-2-phenylpropanoate is sourced from PubChem (CID 62878848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).