[(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate

C19H28N2O5 — CID 57046611

IUPAC[(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate
SMILESC[C@@H](CCCCNC(=O)OCc1ccccc1)OC(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O5/c1-16(26-19(23)21-11-13-24-14-12-21)7-5-6-10-20-18(22)25-15-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyHSTBRJORCAESKQ-INIZCTEOSA-N
MW364.44 g/mol
LogP2.94
Rot. Bonds8

About [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate

[(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate (PubChem CID 57046611) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate
PubChem CID57046611
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name[(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate
SMILESC[C@@H](CCCCNC(=O)OCc1ccccc1)OC(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O5/c1-16(26-19(23)21-11-13-24-14-12-21)7-5-6-10-20-18(22)25-15-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyHSTBRJORCAESKQ-INIZCTEOSA-N
XLogP2.94
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(6-methylheptyl)carbamate
CID 59918495
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
4-[2-[2-(morpholine-4-carbonyl)anilino]propanoylamino]-8-(phenylmethoxycarbonylamino)oct-2-enoic acid
CID 70079279
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
CID 51149564
benzyl N-[5-amino-6-(butylamino)-6-oxohexyl]carbamate
CID 156743341
ethyl 2-hydroxy-6-(phenylmethoxycarbonylamino)hexanoate
CID 21392364
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(3-morpholin-4-ylpropylamino)-1-oxohexan-2-yl]carbamate
CID 110189169
ethyl (5S)-5-methyl-9-(phenylmethoxycarbonylamino)nonanoate
CID 158070429

Frequently Asked Questions

What is the IUPAC name of [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate (CID 57046611) is [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate is C[C@@H](CCCCNC(=O)OCc1ccccc1)OC(=O)N1CCOCC1.
What is the InChIKey of [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate?
The InChIKey is HSTBRJORCAESKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-16(26-19(23)21-11-13-24-14-12-21)7-5-6-10-20-18(22)25-15-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate?
[(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 57046611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).