(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide

C11H14N2O3 — CID 96998659

IUPAC(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
SMILESO=C(Nc1ccccc1O)[C@@H]1COCCN1
InChIInChI=1S/C11H14N2O3/c14-10-4-2-1-3-8(10)13-11(15)9-7-16-6-5-12-9/h1-4,9,12,14H,5-7H2,(H,13,15)/t9-/m0/s1
InChIKeyTZTZDNXLCHFHLK-VIFPVBQESA-N
MW222.24 g/mol
LogP0.32
Rot. Bonds2

About (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide

(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide (PubChem CID 96998659) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
PubChem CID96998659
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
SMILESO=C(Nc1ccccc1O)[C@@H]1COCCN1
InChIInChI=1S/C11H14N2O3/c14-10-4-2-1-3-8(10)13-11(15)9-7-16-6-5-12-9/h1-4,9,12,14H,5-7H2,(H,13,15)/t9-/m0/s1
InChIKeyTZTZDNXLCHFHLK-VIFPVBQESA-N
XLogP0.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897
N-(2-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 79043286
N-(1-benzothiophen-3-yl)morpholine-3-carboxamide
CID 115177568
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 119709153
N-(1-benzyl-2-oxo-3-pyridinyl)morpholine-3-carboxamide
CID 119811008
N-(2,6-dibromophenyl)morpholine-3-carboxamide
CID 107599564
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
N-(4-methoxy-2,3-dimethylphenyl)morpholine-3-carboxamide
CID 115177555
(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide
CID 124681532
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide (CID 96998659) is (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide is O=C(Nc1ccccc1O)[C@@H]1COCCN1.
What is the InChIKey of (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide?
The InChIKey is TZTZDNXLCHFHLK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-4-2-1-3-8(10)13-11(15)9-7-16-6-5-12-9/h1-4,9,12,14H,5-7H2,(H,13,15)/t9-/m0/s1.
What are the key properties of (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide?
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 96998659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).