methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate

C11H21NO3 — CID 106675932

IUPACmethyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
SMILESCOC(=O)C(CC(C)(C)OC)NC1CC1
InChIInChI=1S/C11H21NO3/c1-11(2,15-4)7-9(10(13)14-3)12-8-5-6-8/h8-9,12H,5-7H2,1-4H3
InChIKeyRNUISXPERSYTQD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds6

About methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate

methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate (PubChem CID 106675932) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
PubChem CID106675932
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
SMILESCOC(=O)C(CC(C)(C)OC)NC1CC1
InChIInChI=1S/C11H21NO3/c1-11(2,15-4)7-9(10(13)14-3)12-8-5-6-8/h8-9,12H,5-7H2,1-4H3
InChIKeyRNUISXPERSYTQD-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
CID 106675996
2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
CID 106675998
methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 63041148
methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate
CID 63040216
ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate
CID 106666692
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82007078
4-O-tert-butyl 1-O-methyl 2-(cyclopentylamino)butanedioate
CID 66586456
4-O-tert-butyl 1-O-methyl (2R)-2-(cyclopentylamino)butanedioate
CID 66586454
methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate (CID 106675932) is methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate is COC(=O)C(CC(C)(C)OC)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate?
The InChIKey is RNUISXPERSYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,15-4)7-9(10(13)14-3)12-8-5-6-8/h8-9,12H,5-7H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate?
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate is sourced from PubChem (CID 106675932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).