methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate

C13H25NO3 — CID 54894120

IUPACmethyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)(C)OC)NCC1CC1
InChIInChI=1S/C13H25NO3/c1-12(2,17-5)9-13(3,11(15)16-4)14-8-10-6-7-10/h10,14H,6-9H2,1-5H3
InChIKeyHPKVENIHLJQWKR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds7

About methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate

methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate (PubChem CID 54894120) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate
PubChem CID54894120
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)(C)OC)NCC1CC1
InChIInChI=1S/C13H25NO3/c1-12(2,17-5)9-13(3,11(15)16-4)14-8-10-6-7-10/h10,14H,6-9H2,1-5H3
InChIKeyHPKVENIHLJQWKR-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate (CID 54894120) is methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate is COC(=O)C(C)(CC(C)(C)OC)NCC1CC1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate?
The InChIKey is HPKVENIHLJQWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,17-5)9-13(3,11(15)16-4)14-8-10-6-7-10/h10,14H,6-9H2,1-5H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate?
methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate has a molecular weight of 243.35 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 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate is sourced from PubChem (CID 54894120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).