benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate

C20H31N3O5 — CID 50986379

IUPACbenzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)CN1CCOCC1
InChIInChI=1S/C20H31N3O5/c1-20(2,3)28-19(25)22-17(14-23-9-11-26-12-10-23)13-21-18(24)27-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyJRBKFHWCXVELCA-KRWDZBQOSA-N
MW393.48 g/mol
LogP2.14
Rot. Bonds7

About benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate

benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate (PubChem CID 50986379) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate
PubChem CID50986379
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Namebenzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)CN1CCOCC1
InChIInChI=1S/C20H31N3O5/c1-20(2,3)28-19(25)22-17(14-23-9-11-26-12-10-23)13-21-18(24)27-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyJRBKFHWCXVELCA-KRWDZBQOSA-N
XLogP2.14
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-ylbutanoate
CID 59414273
tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate
CID 10595823
benzyl N-[(2R)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 59199757
benzyl N-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 86731707
benzyl N-[(2R)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate
CID 68577444
benzyl 4-[3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperazine-1-carboxylate
CID 72582820
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(3-morpholin-4-ylpropylamino)-1-oxohexan-2-yl]carbamate
CID 110189169
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
benzyl N-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 86731691
benzyl N-[(2S)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 129410534
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
benzyl N-[2-[[(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-2-oxoethyl]carbamate
CID 86624495

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate (CID 50986379) is benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)CN1CCOCC1.
What is the InChIKey of benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate?
The InChIKey is JRBKFHWCXVELCA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-20(2,3)28-19(25)22-17(14-23-9-11-26-12-10-23)13-21-18(24)27-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate?
benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate has a molecular weight of 393.48 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate is sourced from PubChem (CID 50986379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).