N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide

C16H23N3O3 — CID 124610150

IUPACN-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1
InChIInChI=1S/C16H23N3O3/c1-12(20)18-10-14-11-19(7-8-22-14)16(21)15(17)9-13-5-3-2-4-6-13/h2-6,14-15H,7-11,17H2,1H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyQIGCLRPMKBZYAA-LSDHHAIUSA-N
MW305.38 g/mol
LogP-0.08
Rot. Bonds5

About N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide

N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide (PubChem CID 124610150) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
PubChem CID124610150
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1
InChIInChI=1S/C16H23N3O3/c1-12(20)18-10-14-11-19(7-8-22-14)16(21)15(17)9-13-5-3-2-4-6-13/h2-6,14-15H,7-11,17H2,1H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyQIGCLRPMKBZYAA-LSDHHAIUSA-N
XLogP-0.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-amino-2-(4-methylphenyl)acetyl]morpholin-2-yl]methyl]acetamide
CID 120668553
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813
(2R)-2-amino-1-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-3-phenylpropan-1-one
CID 125152052
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
N-[[4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 75374460
N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 97218270
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide (CID 124610150) is N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1.
What is the InChIKey of N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is QIGCLRPMKBZYAA-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(20)18-10-14-11-19(7-8-22-14)16(21)15(17)9-13-5-3-2-4-6-13/h2-6,14-15H,7-11,17H2,1H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide?
N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 305.38 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 124610150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).