2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid

C15H20N2O4 — CID 124589089

IUPAC2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C15H20N2O4/c1-16(11-14(18)19)15(20)13-10-17(7-8-21-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyZHSBAFHKWIMPBH-ZDUSSCGKSA-N
MW292.33 g/mol
LogP0.43
Rot. Bonds5

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

2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid (PubChem CID 124589089) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
PubChem CID124589089
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C15H20N2O4/c1-16(11-14(18)19)15(20)13-10-17(7-8-21-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyZHSBAFHKWIMPBH-ZDUSSCGKSA-N
XLogP0.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
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
3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362755
4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide
CID 136527534
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2,2-dimethylpropyl)morpholine-2-carboxamide
CID 16755586
(2S)-4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 95862793
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid (CID 124589089) is 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid?
The InChIKey is ZHSBAFHKWIMPBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(11-14(18)19)15(20)13-10-17(7-8-21-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid?
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 124589089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).