propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate

C16H29NO4 — CID 59571302

IUPACpropan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate
SMILESCC(=O)C(NC(=O)CCC(C)(C)C(=O)OC(C)C)C(C)C
InChIInChI=1S/C16H29NO4/c1-10(2)14(12(5)18)17-13(19)8-9-16(6,7)15(20)21-11(3)4/h10-11,14H,8-9H2,1-7H3,(H,17,19)
InChIKeyALJNTTWMGNXJIS-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.47
Rot. Bonds8

About propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate

propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate (PubChem CID 59571302) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namepropan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate
PubChem CID59571302
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namepropan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate
SMILESCC(=O)C(NC(=O)CCC(C)(C)C(=O)OC(C)C)C(C)C
InChIInChI=1S/C16H29NO4/c1-10(2)14(12(5)18)17-13(19)8-9-16(6,7)15(20)21-11(3)4/h10-11,14H,8-9H2,1-7H3,(H,17,19)
InChIKeyALJNTTWMGNXJIS-UHFFFAOYSA-N
XLogP2.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate with MolForge

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Related Compounds

(3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid
CID 59571321
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
(2R)-2-(4,4-dimethylpentanoylamino)-3-methylbutanoic acid
CID 119368120
N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
CID 158440925
propan-2-yl (E)-4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobut-2-enoate
CID 59571311
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
propan-2-yl (E)-2,3-dimethyl-4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobut-2-enoate;sulfane
CID 159952671
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113239606
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
CID 114212897
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
CID 106345043
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate?
The IUPAC name of propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate (CID 59571302) is propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate.
What is the SMILES notation for propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate?
The canonical SMILES for propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate is CC(=O)C(NC(=O)CCC(C)(C)C(=O)OC(C)C)C(C)C.
What is the InChIKey of propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate?
The InChIKey is ALJNTTWMGNXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-10(2)14(12(5)18)17-13(19)8-9-16(6,7)15(20)21-11(3)4/h10-11,14H,8-9H2,1-7H3,(H,17,19).
What are the key properties of propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate?
propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate has a molecular weight of 299.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 59571302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).