2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C15H29NO4 — CID 137320509

IUPAC2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)COC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-10(2)8-12(13(17)19-9-11(3)4)16-14(18)20-15(5,6)7/h10-12H,8-9H2,1-7H3,(H,16,18)
InChIKeyTWFBOTILRIRLHL-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.12
Rot. Bonds6

About 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 137320509) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Name2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID137320509
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)COC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-10(2)8-12(13(17)19-9-11(3)4)16-14(18)20-15(5,6)7/h10-12H,8-9H2,1-7H3,(H,16,18)
InChIKeyTWFBOTILRIRLHL-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl] 3-methyl-2-propan-2-ylbutanoate
CID 174639257
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid
CID 11089264
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
2-(2-methylprop-2-enoyloxy)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 102110832
(2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-4-oxobutanoyl]oxypropanoic acid
CID 129183256
tert-butyl (2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 175818879
(2,3,4,5,6-pentafluorophenyl) (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 22818436
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
CID 175583050
tert-butyl N-[(3R)-5-methyl-1,2-dioxohexan-3-yl]carbamate
CID 10776618
tert-butyl N-(1-amino-1-imino-4-methylpentan-2-yl)carbamate
CID 61428279

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 137320509) is 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)COC(=O)C(CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is TWFBOTILRIRLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-10(2)8-12(13(17)19-9-11(3)4)16-14(18)20-15(5,6)7/h10-12H,8-9H2,1-7H3,(H,16,18).
What are the key properties of 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 287.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 137320509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).