tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate

C14H26N2O4 — CID 58330029

IUPACtert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CC1CCOCC1)C(N)=O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16(4)11(12(15)17)9-10-5-7-19-8-6-10/h10-11H,5-9H2,1-4H3,(H2,15,17)/t11-/m0/s1
InChIKeyXBVNCDJVVJTYHV-NSHDSACASA-N
MW286.37 g/mol
LogP1.52
Rot. Bonds4

About tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 58330029) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID58330029
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CC1CCOCC1)C(N)=O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16(4)11(12(15)17)9-10-5-7-19-8-6-10/h10-11H,5-9H2,1-4H3,(H2,15,17)/t11-/m0/s1
InChIKeyXBVNCDJVVJTYHV-NSHDSACASA-N
XLogP1.52
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122
tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate
CID 169096210
tert-butyl N-(1-amino-3-ethylsulfanyl-1-oxopropan-2-yl)-N-methylcarbamate
CID 12854295
tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate
CID 116861117
[(2S)-1-methoxy-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoyl]amino]-2-(oxan-4-yl)ethylidene]oxidanium
CID 143711089
tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
2-amino-3-(oxan-4-yl)propanamide
CID 64990540
[(2R)-3-(4-morpholin-4-ylphenyl)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-3-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 130196380
3-amino-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 167720958
2-[4-(oxan-4-yl)phenyl]ethyl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 175718982
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoate
CID 7168105
(2R)-2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxypropanoic acid
CID 130176860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate (CID 58330029) is tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H](CC1CCOCC1)C(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is XBVNCDJVVJTYHV-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16(4)11(12(15)17)9-10-5-7-19-8-6-10/h10-11H,5-9H2,1-4H3,(H2,15,17)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 286.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 58330029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).