tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate

C14H28N2O3 — CID 134917949

IUPACtert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCCCN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-9-10-16(8-2)12(17)11(3)15-13(18)19-14(4,5)6/h11H,7-10H2,1-6H3,(H,15,18)/t11-/m0/s1
InChIKeyYBDZDDXPLQTDIP-NSHDSACASA-N
MW272.39 g/mol
LogP2.55
Rot. Bonds6

About tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 134917949) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID134917949
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCCCN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-9-10-16(8-2)12(17)11(3)15-13(18)19-14(4,5)6/h11H,7-10H2,1-6H3,(H,15,18)/t11-/m0/s1
InChIKeyYBDZDDXPLQTDIP-NSHDSACASA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]butyl]carbamate
CID 11514386
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]propyl]carbamate
CID 11550481
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]pentyl]carbamate
CID 11637576
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-methylpropyl]carbamate
CID 14774521
Carbamic acid, [2-[(cyanomethyl)amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester, (s)-
CID 15283376
Boc-Ala-NH2
CID 7015295
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
N-(((2-Methyl-2-propanyl)oxy)carbonyl)-L-alanyl-L-alaninamide
CID 5497045
tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate
CID 375613
tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate
CID 545702
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569
Tert-butyl (2-(isopropylamino)-2-oxoethyl)carbamate
CID 21034185

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate (CID 134917949) is tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate is CCCCN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is YBDZDDXPLQTDIP-NSHDSACASA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-9-10-16(8-2)12(17)11(3)15-13(18)19-14(4,5)6/h11H,7-10H2,1-6H3,(H,15,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[butyl(ethyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 134917949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).