2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid

C13H16N2O4 — CID 10901474

IUPAC2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1OCCN(NCc2ccccc2)C1=O
InChIInChI=1S/C13H16N2O4/c16-12(17)8-11-13(18)15(6-7-19-11)14-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,16,17)/t11-/m0/s1
InChIKeyQOEPFIQZANUDRC-NSHDSACASA-N
MW264.28 g/mol
LogP0.39
Rot. Bonds5

About 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid

2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid (PubChem CID 10901474) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid
PubChem CID10901474
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1OCCN(NCc2ccccc2)C1=O
InChIInChI=1S/C13H16N2O4/c16-12(17)8-11-13(18)15(6-7-19-11)14-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,16,17)/t11-/m0/s1
InChIKeyQOEPFIQZANUDRC-NSHDSACASA-N
XLogP0.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid
CID 11097854
[amino-[4-[[[2-[(2S)-3-oxo-4-(2-phenylethylamino)morpholin-2-yl]acetyl]amino]methyl]phenyl]methylidene]azanium acetate
CID 10895977
2-[4-(3-nitroanilino)-3-oxomorpholin-2-yl]acetic acid
CID 11808555
benzyl N-[amino-[4-[[[2-[(2S)-3-oxo-4-(2-phenylethylamino)morpholin-2-yl]acetyl]amino]methyl]phenyl]methylidene]carbamate
CID 57366108
N-[(2R)-2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-oxomorpholin-4-yl]benzamide
CID 11730366
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid
CID 144688220
methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate
CID 10902788
(2R)-2-benzyl-4-methylmorpholin-3-one;bromobenzene
CID 144688089
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 685731
dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41000175

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid (CID 10901474) is 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid is O=C(O)C[C@@H]1OCCN(NCc2ccccc2)C1=O.
What is the InChIKey of 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is QOEPFIQZANUDRC-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(17)8-11-13(18)15(6-7-19-11)14-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid?
2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 10901474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).