2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate

C18H35NO4 — CID 91734791

IUPAC2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCC(C)(C)C)N(C)C(=O)OCC(C)(C)C
InChIInChI=1S/C18H35NO4/c1-13(2)10-14(15(20)22-11-17(3,4)5)19(9)16(21)23-12-18(6,7)8/h13-14H,10-12H2,1-9H3
InChIKeyOCUYRQWPXLJKBP-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.10
Rot. Bonds6

About 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate

2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate (PubChem CID 91734791) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate
PubChem CID91734791
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCC(C)(C)C)N(C)C(=O)OCC(C)(C)C
InChIInChI=1S/C18H35NO4/c1-13(2)10-14(15(20)22-11-17(3,4)5)19(9)16(21)23-12-18(6,7)8/h13-14H,10-12H2,1-9H3
InChIKeyOCUYRQWPXLJKBP-UHFFFAOYSA-N
XLogP4.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725907
(2S)-2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-fluoro-4-methylpentanoic acid
CID 163633184
2,2-dimethylpropyl 2-[[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoate
CID 91732870
4-methylpentyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725908
2-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxypropanoic acid
CID 85313440
decyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
CID 91729750
4-methylpentyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91732925
nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91733215
hexadecyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725916
tert-butyl N-(1-hydroxy-5-methyl-2-oxohexan-3-yl)-N-methylcarbamate
CID 23567010
tert-butyl N-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 141416319
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate?
The IUPAC name of 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate (CID 91734791) is 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate.
What is the SMILES notation for 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate?
The canonical SMILES for 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate is CC(C)CC(C(=O)OCC(C)(C)C)N(C)C(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate?
The InChIKey is OCUYRQWPXLJKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-13(2)10-14(15(20)22-11-17(3,4)5)19(9)16(21)23-12-18(6,7)8/h13-14H,10-12H2,1-9H3.
What are the key properties of 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate?
2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate has a molecular weight of 329.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate is sourced from PubChem (CID 91734791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).