tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate

C14H28N2O4 — CID 91015217

IUPACtert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate
SMILESCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(O)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-8-9-10(11(17)16(19)13(2,3)4)15-12(18)20-14(5,6)7/h10,19H,8-9H2,1-7H3,(H,15,18)/t10-/m0/s1
InChIKeyYQEOXQSECPWCPE-JTQLQIEISA-N
MW288.39 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate (PubChem CID 91015217) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate
PubChem CID91015217
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nametert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate
SMILESCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(O)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-8-9-10(11(17)16(19)13(2,3)4)15-12(18)20-14(5,6)7/h10,19H,8-9H2,1-7H3,(H,15,18)/t10-/m0/s1
InChIKeyYQEOXQSECPWCPE-JTQLQIEISA-N
XLogP2.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-2-yl]carbamate
CID 116849888
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
CID 10858271
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylpropanoate
CID 89022620
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-5-methyl-1-oxohexan-2-yl]carbamate
CID 22942156
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
tert-butyl N-(1-iodopentan-2-yl)carbamate
CID 130004386
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 17039381
tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate
CID 177029791
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 170262393

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate (CID 91015217) is tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate is CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(O)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate?
The InChIKey is YQEOXQSECPWCPE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H28N2O4/c1-8-9-10(11(17)16(19)13(2,3)4)15-12(18)20-14(5,6)7/h10,19H,8-9H2,1-7H3,(H,15,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate has a molecular weight of 288.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 91015217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).