(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid

C18H26N2O4 — CID 124681649

IUPAC(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-13(2)17(18(22)23)19-16(21)10-15-12-20(8-9-24-15)11-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,19,21)(H,22,23)/t15-,17+/m0/s1
InChIKeyMXNIKPHZPHNHRZ-DOTOQJQBSA-N
MW334.42 g/mol
LogP1.50
Rot. Bonds7

About (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid (PubChem CID 124681649) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
PubChem CID124681649
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-13(2)17(18(22)23)19-16(21)10-15-12-20(8-9-24-15)11-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,19,21)(H,22,23)/t15-,17+/m0/s1
InChIKeyMXNIKPHZPHNHRZ-DOTOQJQBSA-N
XLogP1.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71991299
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride
CID 119590174
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
CID 119582704
3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362755
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid (CID 124681649) is (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid?
The InChIKey is MXNIKPHZPHNHRZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)17(18(22)23)19-16(21)10-15-12-20(8-9-24-15)11-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3,(H,19,21)(H,22,23)/t15-,17+/m0/s1.
What are the key properties of (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid has a molecular weight of 334.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 124681649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).