(2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid

C19H28N2O4 — CID 70065737

IUPAC(2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid
SMILESCC(C)CC(C(=O)O)C(Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-14(2)12-16(18(22)23)17(13-15-6-4-3-5-7-15)20-19(24)21-8-10-25-11-9-21/h3-7,14,16-17H,8-13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyHPNGZXJYIBHHQY-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.39
Rot. Bonds7

About (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid

(2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid (PubChem CID 70065737) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid
PubChem CID70065737
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid
SMILESCC(C)CC(C(=O)O)C(Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-14(2)12-16(18(22)23)17(13-15-6-4-3-5-7-15)20-19(24)21-8-10-25-11-9-21/h3-7,14,16-17H,8-13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyHPNGZXJYIBHHQY-UHFFFAOYSA-N
XLogP2.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(1S)-1-cyano-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 11810830
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 110284593
2-(morpholine-4-carbonylamino)-4-phenyl-3-sulfinobutanoic acid
CID 69425574
(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
CID 18631423
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid
CID 14213088
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 71864458
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid (CID 70065737) is (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid is CC(C)CC(C(=O)O)C(Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid?
The InChIKey is HPNGZXJYIBHHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)12-16(18(22)23)17(13-15-6-4-3-5-7-15)20-19(24)21-8-10-25-11-9-21/h3-7,14,16-17H,8-13H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid?
(2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid is sourced from PubChem (CID 70065737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).