tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate

C15H28N2O4 — CID 110677926

IUPACtert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCCO1
InChIInChI=1S/C15H28N2O4/c1-10(2)12(17-14(19)21-15(3,4)5)13(18)16-9-11-7-6-8-20-11/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19)/t11?,12-/m0/s1
InChIKeyAJTXJYOEVYZXRO-KIYNQFGBSA-N
MW300.40 g/mol
LogP1.83
Rot. Bonds5

About tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate

tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate (PubChem CID 110677926) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
PubChem CID110677926
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCCO1
InChIInChI=1S/C15H28N2O4/c1-10(2)12(17-14(19)21-15(3,4)5)13(18)16-9-11-7-6-8-20-11/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19)/t11?,12-/m0/s1
InChIKeyAJTXJYOEVYZXRO-KIYNQFGBSA-N
XLogP1.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylmethoxybutan-2-yl]carbamate
CID 648722
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate
CID 97012257
3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
tert-butyl N-[1-[methyl(oxolan-2-ylmethyl)amino]-1-oxopropan-2-yl]carbamate
CID 61436416
tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate
CID 80706794
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 93144997
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
CID 155819333
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196
tert-butyl N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]carbamate;ethane
CID 143423917
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate (CID 110677926) is tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCCO1.
What is the InChIKey of tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate?
The InChIKey is AJTXJYOEVYZXRO-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(2)12(17-14(19)21-15(3,4)5)13(18)16-9-11-7-6-8-20-11/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19)/t11?,12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate?
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 110677926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).