benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate

C15H22N2O3 — CID 106484119

IUPACbenzyl 2-methyl-3-(morpholin-4-ylamino)propanoate
SMILESCC(CNN1CCOCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-13(11-16-17-7-9-19-10-8-17)15(18)20-12-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3
InChIKeyBDPBWPNARUIIAQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.20
Rot. Bonds6

About benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate

benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate (PubChem CID 106484119) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate.

Molecular Properties

Compound Namebenzyl 2-methyl-3-(morpholin-4-ylamino)propanoate
PubChem CID106484119
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl 2-methyl-3-(morpholin-4-ylamino)propanoate
SMILESCC(CNN1CCOCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-13(11-16-17-7-9-19-10-8-17)15(18)20-12-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3
InChIKeyBDPBWPNARUIIAQ-UHFFFAOYSA-N
XLogP1.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R,4S)-2,4-dimethyl-5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoate
CID 92846824
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
benzyl 2-methyl-3-(sulfamoylamino)propanoate
CID 174669521
benzyl (2S)-4-methyl-2-[[2-[16-[2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]pentanoate
CID 99662039
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl 3-[1-(furan-2-yl)ethylamino]-2-methylpropanoate
CID 106483934
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656
benzyl 3-(2,2-difluoroethylamino)-2-methylpropanoate
CID 106484104

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate?
The IUPAC name of benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate (CID 106484119) is benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate.
What is the SMILES notation for benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate?
The canonical SMILES for benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate is CC(CNN1CCOCC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate?
The InChIKey is BDPBWPNARUIIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-13(11-16-17-7-9-19-10-8-17)15(18)20-12-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3.
What are the key properties of benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate?
benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate is sourced from PubChem (CID 106484119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).