tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate

C20H30N2O5 — CID 10595823

IUPACtert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate
SMILESCC(C)(C)OC(=O)[C@H](CCN1CCOCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H30N2O5/c1-20(2,3)27-18(23)17(9-10-22-11-13-25-14-12-22)21-19(24)26-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyBROCUHCHLJFZFZ-KRWDZBQOSA-N
MW378.47 g/mol
LogP2.35
Rot. Bonds7

About tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate

tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate (PubChem CID 10595823) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate.

Molecular Properties

Compound Nametert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate
PubChem CID10595823
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Nametert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate
SMILESCC(C)(C)OC(=O)[C@H](CCN1CCOCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H30N2O5/c1-20(2,3)27-18(23)17(9-10-22-11-13-25-14-12-22)21-19(24)26-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyBROCUHCHLJFZFZ-KRWDZBQOSA-N
XLogP2.35
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-ylbutanoate
CID 59414273
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(3-morpholin-4-ylpropylamino)-1-oxohexan-2-yl]carbamate
CID 110189169
1-O-tert-butyl 5-O-methyl (2R)-2-(phenylmethoxycarbonylamino)pentanedioate
CID 10594076
tert-butyl (2S)-3-bromo-2-(phenylmethoxycarbonylamino)propanoate
CID 140830788
benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate
CID 50986379
(3S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 10903400
tert-butyl 2-(phenylmethoxycarbonylamino)-5-sulfanylpentanoate
CID 18957231
benzyl N-[(2S)-1-[methyl(2-morpholin-4-ylethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 52532454
tert-butyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate
CID 10915135
tert-butyl 6-amino-2-(phenylmethoxycarbonylamino)hexanoate;hydrochloride
CID 67690188
tert-butyl N-[1-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-4-morpholin-4-yl-1-oxobutan-2-yl]carbamate
CID 76528530
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate?
The IUPAC name of tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate (CID 10595823) is tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate.
What is the SMILES notation for tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate?
The canonical SMILES for tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate is CC(C)(C)OC(=O)[C@H](CCN1CCOCC1)NC(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate?
The InChIKey is BROCUHCHLJFZFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-20(2,3)27-18(23)17(9-10-22-11-13-25-14-12-22)21-19(24)26-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate?
tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate has a molecular weight of 378.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate is sourced from PubChem (CID 10595823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).