methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate

C12H25NO3 — CID 60796248

IUPACmethyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)(C)OC)C(=O)OC
InChIInChI=1S/C12H25NO3/c1-7-8-13-12(4,10(14)15-5)9-11(2,3)16-6/h13H,7-9H2,1-6H3
InChIKeyYMWLMLZJSQUNPM-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.73
Rot. Bonds7

About methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate

methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate (PubChem CID 60796248) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
PubChem CID60796248
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Namemethyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)(C)OC)C(=O)OC
InChIInChI=1S/C12H25NO3/c1-7-8-13-12(4,10(14)15-5)9-11(2,3)16-6/h13H,7-9H2,1-6H3
InChIKeyYMWLMLZJSQUNPM-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate
CID 54894120
ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate
CID 60993509
methyl 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64710823
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666735
methyl 3-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-methyl-2-(propylamino)propanoate
CID 114234513
methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propylamino)propanoate
CID 79670915
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
CID 64705937
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666691
methyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)butanoate
CID 107756143
methyl 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)pentanoate
CID 82005665

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate?
The IUPAC name of methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate (CID 60796248) is methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate.
What is the SMILES notation for methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate?
The canonical SMILES for methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate is CCCNC(C)(CC(C)(C)OC)C(=O)OC.
What is the InChIKey of methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate?
The InChIKey is YMWLMLZJSQUNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-7-8-13-12(4,10(14)15-5)9-11(2,3)16-6/h13H,7-9H2,1-6H3.
What are the key properties of methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate?
methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate is sourced from PubChem (CID 60796248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).