[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid

C13H18N2O3 — CID 68931667

IUPAC[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
SMILESO=C(O)N[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H18N2O3/c16-13(17)14-12(11-4-2-1-3-5-11)10-15-6-8-18-9-7-15/h1-5,12,14H,6-10H2,(H,16,17)/t12-/m1/s1
InChIKeyMGBOBPOXGSFUOE-GFCCVEGCSA-N
MW250.30 g/mol
LogP1.33
Rot. Bonds4

About [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid (PubChem CID 68931667) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
PubChem CID68931667
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
SMILESO=C(O)N[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H18N2O3/c16-13(17)14-12(11-4-2-1-3-5-11)10-15-6-8-18-9-7-15/h1-5,12,14H,6-10H2,(H,16,17)/t12-/m1/s1
InChIKeyMGBOBPOXGSFUOE-GFCCVEGCSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
6-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 102553631
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid?
The IUPAC name of [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid (CID 68931667) is [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid?
The canonical SMILES for [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid is O=C(O)N[C@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid?
The InChIKey is MGBOBPOXGSFUOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(17)14-12(11-4-2-1-3-5-11)10-15-6-8-18-9-7-15/h1-5,12,14H,6-10H2,(H,16,17)/t12-/m1/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid?
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid has a molecular weight of 250.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid is sourced from PubChem (CID 68931667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).