tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate

C14H26N2O4 — CID 146481149

IUPACtert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate
SMILESCCC(=O)N(CC(=O)OC(C)(C)C)C(=O)NC(C)CC
InChIInChI=1S/C14H26N2O4/c1-7-10(3)15-13(19)16(11(17)8-2)9-12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19)
InChIKeyLRCLBNKEZWPHKE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.07
Rot. Bonds5

About tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate

tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate (PubChem CID 146481149) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate
PubChem CID146481149
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate
SMILESCCC(=O)N(CC(=O)OC(C)(C)C)C(=O)NC(C)CC
InChIInChI=1S/C14H26N2O4/c1-7-10(3)15-13(19)16(11(17)8-2)9-12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19)
InChIKeyLRCLBNKEZWPHKE-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate
CID 134420095
tert-butyl 2-[acetyl(1-ethoxypropylcarbamoyl)amino]acetate
CID 134570103
(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 23510744
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
tert-butyl N-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558363
tert-butyl (3R)-3-methylpentanoate
CID 158245009
tert-butyl propanoate;hydrobromide
CID 172778720
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate?
The IUPAC name of tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate (CID 146481149) is tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate is CCC(=O)N(CC(=O)OC(C)(C)C)C(=O)NC(C)CC.
What is the InChIKey of tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate?
The InChIKey is LRCLBNKEZWPHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-7-10(3)15-13(19)16(11(17)8-2)9-12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19).
What are the key properties of tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate?
tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate has a molecular weight of 286.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate is sourced from PubChem (CID 146481149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).