2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid

C16H22N2O4 — CID 119359267

IUPAC2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H22N2O4/c1-12(16(20)21)17(2)15(19)14-11-18(8-9-22-14)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,20,21)
InChIKeyJCHGALKJURPZNK-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.82
Rot. Bonds5

About 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid

2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid (PubChem CID 119359267) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
PubChem CID119359267
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H22N2O4/c1-12(16(20)21)17(2)15(19)14-11-18(8-9-22-14)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,20,21)
InChIKeyJCHGALKJURPZNK-UHFFFAOYSA-N
XLogP0.82
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
(2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide
CID 97059704
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
CID 119582704
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
4-benzyl-N-[1-(furan-2-yl)propan-2-yl]morpholine-2-carboxamide
CID 75373190
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide
CID 136527534
2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid (CID 119359267) is 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid?
The InChIKey is JCHGALKJURPZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(16(20)21)17(2)15(19)14-11-18(8-9-22-14)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid?
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid has a molecular weight of 306.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 119359267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).