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

C16H30N2O4 — CID 134420095

IUPACtert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate
SMILESCCC(=O)N(C(=O)NC(C)CC)C(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-9-11(3)17-14(21)18(12(19)10-2)16(7,8)13(20)22-15(4,5)6/h11H,9-10H2,1-8H3,(H,17,21)
InChIKeyTVLMMQPVOUQUGG-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.85
Rot. Bonds5

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

tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate (PubChem CID 134420095) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate
PubChem CID134420095
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate
SMILESCCC(=O)N(C(=O)NC(C)CC)C(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-9-11(3)17-14(21)18(12(19)10-2)16(7,8)13(20)22-15(4,5)6/h11H,9-10H2,1-8H3,(H,17,21)
InChIKeyTVLMMQPVOUQUGG-UHFFFAOYSA-N
XLogP2.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]acetate
CID 146481149
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
tert-butyl 2-acetamido-3-chloro-2-ethoxybutanoate
CID 134932735
tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
CID 24688510
tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
CID 103901727
3-butan-2-yl-1,1-bis(2-methylpropyl)urea
CID 45366563
3-butan-2-yl-1,1-dipropylurea
CID 17217773
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
2-(butan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143350838
sulfanyl N-butan-2-ylcarbamate
CID 58226162
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate (CID 134420095) is tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate is CCC(=O)N(C(=O)NC(C)CC)C(C)(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate?
The InChIKey is TVLMMQPVOUQUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-9-11(3)17-14(21)18(12(19)10-2)16(7,8)13(20)22-15(4,5)6/h11H,9-10H2,1-8H3,(H,17,21).
What are the key properties of tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate?
tert-butyl 2-[butan-2-ylcarbamoyl(propanoyl)amino]-2-methylpropanoate has a molecular weight of 314.43 g/mol, XLogP of 2.85, 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]-2-methylpropanoate is sourced from PubChem (CID 134420095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).