3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid

C14H18N2O5 — CID 68733888

IUPAC3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid
SMILESN[C@@H](C(=O)OCc1ccccc1)C1COCCN1C(=O)O
InChIInChI=1S/C14H18N2O5/c15-12(11-9-20-7-6-16(11)14(18)19)13(17)21-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2,(H,18,19)/t11?,12-/m1/s1
InChIKeyACEGFEPQERINNC-PIJUOVFKSA-N
MW294.31 g/mol
LogP0.44
Rot. Bonds4

About 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid

3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid (PubChem CID 68733888) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid
PubChem CID68733888
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid
SMILESN[C@@H](C(=O)OCc1ccccc1)C1COCCN1C(=O)O
InChIInChI=1S/C14H18N2O5/c15-12(11-9-20-7-6-16(11)14(18)19)13(17)21-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2,(H,18,19)/t11?,12-/m1/s1
InChIKeyACEGFEPQERINNC-PIJUOVFKSA-N
XLogP0.44
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
benzyl 3-(2-bromoacetyl)morpholine-4-carboxylate
CID 104701369
benzyl (3R)-3-ethynylmorpholine-4-carboxylate
CID 88963201
benzyl (3S)-3-prop-2-ynylmorpholine-4-carboxylate
CID 87302423
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
benzyl (6R,7R)-6,7-dihydroxy-1,4-oxazocane-4-carboxylate
CID 122547436
3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
CID 2943012
benzyl (3S)-3-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 151728416
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
CID 14630870
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid?
The IUPAC name of 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid (CID 68733888) is 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid?
The canonical SMILES for 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid is N[C@@H](C(=O)OCc1ccccc1)C1COCCN1C(=O)O.
What is the InChIKey of 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid?
The InChIKey is ACEGFEPQERINNC-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H18N2O5/c15-12(11-9-20-7-6-16(11)14(18)19)13(17)21-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2,(H,18,19)/t11?,12-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid?
3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 68733888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).