benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate

C16H25NO3 — CID 106484043

IUPACbenzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate
SMILESCCC(COC)NCC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-4-15(12-19-3)17-10-13(2)16(18)20-11-14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3
InChIKeyFJDYXIFMQIGBBV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.38
Rot. Bonds9

About benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate

benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate (PubChem CID 106484043) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate
PubChem CID106484043
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namebenzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate
SMILESCCC(COC)NCC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-4-15(12-19-3)17-10-13(2)16(18)20-11-14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3
InChIKeyFJDYXIFMQIGBBV-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
benzyl 2-methyl-3-(sulfamoylamino)propanoate
CID 174669521
benzyl 3-(butylamino)-2-methylpropanoate
CID 106483881
benzyl 3-[1-(furan-2-yl)ethylamino]-2-methylpropanoate
CID 106483934
benzyl 2-methyl-3-phenylpropanoate;ethane;methoxyethane;methoxymethane
CID 160695474
dibenzyl 2-(2-methylbutylamino)propanedioate
CID 134505843
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656
benzyl 3-(2,2-difluoroethylamino)-2-methylpropanoate
CID 106484104
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate?
The IUPAC name of benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate (CID 106484043) is benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate.
What is the SMILES notation for benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate?
The canonical SMILES for benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate is CCC(COC)NCC(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate?
The InChIKey is FJDYXIFMQIGBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-15(12-19-3)17-10-13(2)16(18)20-11-14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3.
What are the key properties of benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate?
benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate has a molecular weight of 279.38 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate is sourced from PubChem (CID 106484043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).