benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate

C17H25NO2 — CID 106484144

IUPACbenzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
SMILESCC(CNCC(C)C1CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(16-8-9-16)10-18-11-14(2)17(19)20-12-15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3
InChIKeyOBYNPGSXXOYKEP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.00
Rot. Bonds8

About benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate

benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate (PubChem CID 106484144) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
PubChem CID106484144
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namebenzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
SMILESCC(CNCC(C)C1CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(16-8-9-16)10-18-11-14(2)17(19)20-12-15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3
InChIKeyOBYNPGSXXOYKEP-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl 3-(2,2-difluoroethylamino)-2-methylpropanoate
CID 106484104
benzyl 2-methyl-3-(prop-2-ynylamino)propanoate
CID 106483863
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl 3-(butylamino)-2-methylpropanoate
CID 106483881
benzyl 3-[(2-hydroxycyclohexyl)amino]-2-methylpropanoate
CID 106484006
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
benzyl 2-methyl-3-(sulfamoylamino)propanoate
CID 174669521
benzyl 3-[2-(methanesulfonamido)ethylamino]-2-methylpropanoate
CID 106483936
benzyl 2-methyl-3-(2-thiophen-3-ylethylamino)propanoate
CID 106483976
benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
CID 106484199

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate?
The IUPAC name of benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate (CID 106484144) is benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate.
What is the SMILES notation for benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate?
The canonical SMILES for benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate is CC(CNCC(C)C1CC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate?
The InChIKey is OBYNPGSXXOYKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(16-8-9-16)10-18-11-14(2)17(19)20-12-15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3.
What are the key properties of benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate?
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate has a molecular weight of 275.39 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate is sourced from PubChem (CID 106484144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).