methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate

C16H31NO4 — CID 10402614

IUPACmethyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)CC(C)(C)NC(C)(C)CC(C)C(=O)OC
InChIInChI=1S/C16H31NO4/c1-11(13(18)20-7)9-15(3,4)17-16(5,6)10-12(2)14(19)21-8/h11-12,17H,9-10H2,1-8H3
InChIKeyURWJUUKLWLKLKP-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.53
Rot. Bonds8

About methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate

methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate (PubChem CID 10402614) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate
PubChem CID10402614
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Namemethyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)CC(C)(C)NC(C)(C)CC(C)C(=O)OC
InChIInChI=1S/C16H31NO4/c1-11(13(18)20-7)9-15(3,4)17-16(5,6)10-12(2)14(19)21-8/h11-12,17H,9-10H2,1-8H3
InChIKeyURWJUUKLWLKLKP-UHFFFAOYSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate with MolForge

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Related Compounds

Methyl 4-acetamido-4-methylpentanoate
CID 154707019
4-[(4-Carboxy-2-methylbutan-2-yl)amino]-4-methylpentanoic acid
CID 87606729
4-[(4-Carboxy-2,4-dimethylpentan-2-yl)amino]-2,2,4-trimethylpentanoic acid
CID 89019469
Methyl 4-amino-2,4-dimethylpentanoate
CID 89341342
Methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate
CID 137456868
[2,4-Dimethyl-4-[(2-methylpropan-2-yl)oxy]pentyl] 4-(tert-butylamino)-2,4-dimethylpentanoate
CID 138514165
methyl (2S)-4-amino-2,4-dimethylpentanoate
CID 170247029
Methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate
CID 10375564
Methyl 4-(ethylamino)-2-methylpentanoate
CID 85711125
Methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
Methyl 2-methyl-4-(pentan-3-ylamino)pentanoate
CID 104645983
Methyl 2-methyl-4-(3-methylbutylamino)pentanoate
CID 104645991

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate?
The IUPAC name of methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate (CID 10402614) is methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate?
The canonical SMILES for methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate is COC(=O)C(C)CC(C)(C)NC(C)(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate?
The InChIKey is URWJUUKLWLKLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-11(13(18)20-7)9-15(3,4)17-16(5,6)10-12(2)14(19)21-8/h11-12,17H,9-10H2,1-8H3.
What are the key properties of methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate?
methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate has a molecular weight of 301.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methoxy-2,4-dimethyl-5-oxopentan-2-yl)amino]-2,4-dimethylpentanoate is sourced from PubChem (CID 10402614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).