methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate

C12H23NO3 — CID 63041148

IUPACmethyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCOC(=O)C(CCOC(C)(C)C)NC1CC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-8-7-10(11(14)15-4)13-9-5-6-9/h9-10,13H,5-8H2,1-4H3
InChIKeyCDBVPWBSXALDKS-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds6

About methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate

methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 63041148) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID63041148
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCOC(=O)C(CCOC(C)(C)C)NC1CC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-8-7-10(11(14)15-4)13-9-5-6-9/h9-10,13H,5-8H2,1-4H3
InChIKeyCDBVPWBSXALDKS-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate
CID 63040216
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate
CID 63041162
dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
CID 103972473
tert-butyl 4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]piperidine-1-carboxylate
CID 11325452
methyl 2-(cyclopropylamino)-4-(3-methoxypropylsulfanyl)butanoate
CID 55261700
4-O-tert-butyl 1-O-methyl 2-(cyclopentylamino)butanedioate
CID 66586456
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
4-O-tert-butyl 1-O-methyl (2R)-2-(cyclopentylamino)butanedioate
CID 66586454
methyl 2-(cyclopropylamino)-4-(3-phenylpropoxy)butanoate
CID 63034786
methyl 2-(cyclopropylamino)-4-(3-hydroxypropylsulfanyl)butanoate
CID 66125970

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate (CID 63041148) is methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate is COC(=O)C(CCOC(C)(C)C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is CDBVPWBSXALDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-8-7-10(11(14)15-4)13-9-5-6-9/h9-10,13H,5-8H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate?
methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 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-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 63041148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).