(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid

C15H20N2O4 — CID 104983382

IUPAC(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)O)C1COCCN1
InChIInChI=1S/C15H20N2O4/c18-14(13-10-21-9-8-16-13)17-12(15(19)20)7-6-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)(H,19,20)/t12-,13?/m0/s1
InChIKeyMEXJNIOPWHBOMH-UEWDXFNNSA-N
MW292.33 g/mol
LogP0.18
Rot. Bonds6

About (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid

(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid (PubChem CID 104983382) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid
PubChem CID104983382
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)O)C1COCCN1
InChIInChI=1S/C15H20N2O4/c18-14(13-10-21-9-8-16-13)17-12(15(19)20)7-6-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)(H,19,20)/t12-,13?/m0/s1
InChIKeyMEXJNIOPWHBOMH-UEWDXFNNSA-N
XLogP0.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
(2R)-3-hydroxy-2-(morpholine-3-carbonylamino)propanoic acid
CID 80750560
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]morpholine-3-carboxamide
CID 107861025
N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119750954
(2S)-2-[[(4S)-2-oxo-1,3-diazepane-4-carbonyl]amino]-4-phenylbutanoic acid
CID 10381271
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)morpholine-3-carboxamide;hydrochloride
CID 119801822
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
(3R)-N-[(2S)-2,3-diphenylpropyl]morpholine-3-carboxamide
CID 124699410
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 119844550

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid?
The IUPAC name of (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid (CID 104983382) is (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid.
What is the SMILES notation for (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid?
The canonical SMILES for (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid is O=C(N[C@@H](CCc1ccccc1)C(=O)O)C1COCCN1.
What is the InChIKey of (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid?
The InChIKey is MEXJNIOPWHBOMH-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(13-10-21-9-8-16-13)17-12(15(19)20)7-6-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)(H,19,20)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid?
(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid is sourced from PubChem (CID 104983382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).