2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid

C17H21ClN2O5 — CID 125132677

IUPAC2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(=O)N[C@@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O5/c1-11(21)19-15(12-2-4-13(18)5-3-12)9-16(22)20-6-7-25-14(10-20)8-17(23)24/h2-5,14-15H,6-10H2,1H3,(H,19,21)(H,23,24)/t14-,15+/m1/s1
InChIKeyGTVONUPHTGXNIM-CABCVRRESA-N
MW368.82 g/mol
LogP1.61
Rot. Bonds6

About 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 125132677) has the molecular formula C17H21ClN2O5 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID125132677
Molecular FormulaC17H21ClN2O5
Molecular Weight368.82 g/mol
Exact Mass368.11
IUPAC Name2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(=O)N[C@@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O5/c1-11(21)19-15(12-2-4-13(18)5-3-12)9-16(22)20-6-7-25-14(10-20)8-17(23)24/h2-5,14-15H,6-10H2,1H3,(H,19,21)(H,23,24)/t14-,15+/m1/s1
InChIKeyGTVONUPHTGXNIM-CABCVRRESA-N
XLogP1.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239507
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 95174002
N-[1-(4-chlorophenyl)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55902543
2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124688467
N-[1-(4-chlorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119545597
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96526050
(2S)-1-[3-acetamido-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365109
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid (CID 125132677) is 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid is CC(=O)N[C@@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is GTVONUPHTGXNIM-CABCVRRESA-N. The full InChI is InChI=1S/C17H21ClN2O5/c1-11(21)19-15(12-2-4-13(18)5-3-12)9-16(22)20-6-7-25-14(10-20)8-17(23)24/h2-5,14-15H,6-10H2,1H3,(H,19,21)(H,23,24)/t14-,15+/m1/s1.
What are the key properties of 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 368.82 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125132677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).