methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate

C15H31NO2 — CID 43689015

IUPACmethyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate
SMILESCCC(C)CC(CC)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C15H31NO2/c1-7-12(5)10-13(8-2)16-14(9-11(3)4)15(17)18-6/h11-14,16H,7-10H2,1-6H3
InChIKeyQVJRBRMJEVXCFG-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.38
Rot. Bonds9

About methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate

methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate (PubChem CID 43689015) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate
PubChem CID43689015
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Namemethyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate
SMILESCCC(C)CC(CC)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C15H31NO2/c1-7-12(5)10-13(8-2)16-14(9-11(3)4)15(17)18-6/h11-14,16H,7-10H2,1-6H3
InChIKeyQVJRBRMJEVXCFG-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N-acetyl-L-leucinate
CID 6950952
Methyl 4-methylpiperidine-2-carboxylate
CID 15511834
Methyl 5-methylpiperidine-2-carboxylate
CID 68090723
Methyl 4-methyl-2-(methylamino)pentanoate hydrochloride
CID 85609281
Methyl 3-methylpiperidine-2-carboxylate hydrochloride
CID 89739579
Ethyl 4-methylpiperidine-2-carboxylate
CID 15697772
DL-Leucine, N-acetyl-, methyl ester
CID 559809
AC-Ile-ome
CID 7021425
Methyl (2R)-2-acetamido-4-methylpentanoate
CID 13220699
Ethyl (2S,4S)-4-Methylpipecolate
CID 15697773
Methyl 4-methylpiperidine-2-carboxylate hydrochloride
CID 75422084
Methyl 2-propylpyrrolidine-2-carboxylate
CID 77884787

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate (CID 43689015) is methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate is CCC(C)CC(CC)NC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate?
The InChIKey is QVJRBRMJEVXCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-7-12(5)10-13(8-2)16-14(9-11(3)4)15(17)18-6/h11-14,16H,7-10H2,1-6H3.
What are the key properties of methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate?
methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate has a molecular weight of 257.42 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate is sourced from PubChem (CID 43689015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).