tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate

C17H32N2O5 — CID 121323803

IUPACtert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCC(=O)[C@@H](N(C)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)CO
InChIInChI=1S/C17H32N2O5/c1-11(18(8)15(23)24-16(3,4)5)14(22)19(9)13(12(2)21)17(6,7)10-20/h11,13,20H,10H2,1-9H3/t11-,13-/m1/s1
InChIKeyKUPCOSFAYNAMEQ-DGCLKSJQSA-N
MW344.45 g/mol
LogP1.68
Rot. Bonds6

About tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 121323803) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID121323803
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Nametert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCC(=O)[C@@H](N(C)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)CO
InChIInChI=1S/C17H32N2O5/c1-11(18(8)15(23)24-16(3,4)5)14(22)19(9)13(12(2)21)17(6,7)10-20/h11,13,20H,10H2,1-9H3/t11-,13-/m1/s1
InChIKeyKUPCOSFAYNAMEQ-DGCLKSJQSA-N
XLogP1.68
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3,3-dimethyl-2-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoate
CID 129189325
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-(4-chloro-3-oxobutan-2-yl)-N-methylcarbamate
CID 104701196
tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate
CID 145146307
tert-butyl N-methyl-N-(5-methyl-3-oxohex-4-en-2-yl)carbamate
CID 163994359
(2S,3S)-3-methyl-2-[methyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 175398441
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-[(3S)-6-hydroxy-2,5-dimethylhex-4-en-3-yl]-N-methylcarbamate
CID 90842401
2-[benzyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
CID 175075361
tert-butyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
CID 167721148

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 121323803) is tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate is CC(=O)[C@@H](N(C)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)CO.
What is the InChIKey of tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is KUPCOSFAYNAMEQ-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-11(18(8)15(23)24-16(3,4)5)14(22)19(9)13(12(2)21)17(6,7)10-20/h11,13,20H,10H2,1-9H3/t11-,13-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 344.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[(3S)-1-hydroxy-2,2-dimethyl-4-oxopentan-3-yl]-methylamino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 121323803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).