methyl 3-(benzylamino)-3-cyclopropylpropanoate

C14H19NO2 — CID 134161981

IUPACmethyl 3-(benzylamino)-3-cyclopropylpropanoate
SMILESCOC(=O)CC(NCc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)9-13(12-7-8-12)15-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3
InChIKeyPREQQMGAUBAQLH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds6

About methyl 3-(benzylamino)-3-cyclopropylpropanoate

methyl 3-(benzylamino)-3-cyclopropylpropanoate (PubChem CID 134161981) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-(benzylamino)-3-cyclopropylpropanoate.

Molecular Properties

Compound Namemethyl 3-(benzylamino)-3-cyclopropylpropanoate
PubChem CID134161981
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 3-(benzylamino)-3-cyclopropylpropanoate
SMILESCOC(=O)CC(NCc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)9-13(12-7-8-12)15-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3
InChIKeyPREQQMGAUBAQLH-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
CID 58000258
2,4-dimethylpentan-3-yl (3S)-3-(benzylamino)-3-cyclohexylpropanoate
CID 53234209
ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate
CID 134161996
methyl 3-(benzylamino)butanoate
CID 13416927
3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
CID 134162150
methyl 2-(benzylamino)-2-cyclopropylacetate
CID 61310357
methyl 3-(benzylamino)-4-methylpentanoate
CID 11333802
ethyl 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propanoate
CID 134162113
methyl 3-cyclobutyl-3-(thiophen-2-ylmethylamino)propanoate
CID 134162056
methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate
CID 134162015
methyl (3S)-3-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-(benzylamino)propanoate
CID 71489337
dimethyl 2-(benzylamino)propanedioate
CID 562185

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylamino)-3-cyclopropylpropanoate?
The IUPAC name of methyl 3-(benzylamino)-3-cyclopropylpropanoate (CID 134161981) is methyl 3-(benzylamino)-3-cyclopropylpropanoate.
What is the SMILES notation for methyl 3-(benzylamino)-3-cyclopropylpropanoate?
The canonical SMILES for methyl 3-(benzylamino)-3-cyclopropylpropanoate is COC(=O)CC(NCc1ccccc1)C1CC1.
What is the InChIKey of methyl 3-(benzylamino)-3-cyclopropylpropanoate?
The InChIKey is PREQQMGAUBAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)9-13(12-7-8-12)15-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3.
What are the key properties of methyl 3-(benzylamino)-3-cyclopropylpropanoate?
methyl 3-(benzylamino)-3-cyclopropylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylamino)-3-cyclopropylpropanoate is sourced from PubChem (CID 134161981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).