(2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid

C25H24N2O6 — CID 11532446

IUPAC(2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C25H24N2O6/c28-23(20-8-7-18-3-1-2-4-19(18)16-20)26-22(24(29)30)15-17-5-9-21(10-6-17)33-25(31)27-11-13-32-14-12-27/h1-10,16,22H,11-15H2,(H,26,28)(H,29,30)/t22-/m0/s1
InChIKeyNPPYTXZYPOTJSG-QFIPXVFZSA-N
MW448.48 g/mol
LogP3.10
Rot. Bonds6

About (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid

(2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid (PubChem CID 11532446) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid
PubChem CID11532446
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name(2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C25H24N2O6/c28-23(20-8-7-18-3-1-2-4-19(18)16-20)26-22(24(29)30)15-17-5-9-21(10-6-17)33-25(31)27-11-13-32-14-12-27/h1-10,16,22H,11-15H2,(H,26,28)(H,29,30)/t22-/m0/s1
InChIKeyNPPYTXZYPOTJSG-QFIPXVFZSA-N
XLogP3.10
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorobenzoyl)amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 22888788
(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 146352445
(2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 141006168
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474
3,4-difluoro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzamide
CID 110347258
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
2-[[6-[(4-bromophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677460
2-[[6-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677412
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid (CID 11532446) is (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid is O=C(N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid?
The InChIKey is NPPYTXZYPOTJSG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N2O6/c28-23(20-8-7-18-3-1-2-4-19(18)16-20)26-22(24(29)30)15-17-5-9-21(10-6-17)33-25(31)27-11-13-32-14-12-27/h1-10,16,22H,11-15H2,(H,26,28)(H,29,30)/t22-/m0/s1.
What are the key properties of (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid?
(2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid has a molecular weight of 448.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 11532446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).