methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate

C10H19NO2 — CID 60786156

IUPACmethyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(NC(C)C)C1CC1
InChIInChI=1S/C10H19NO2/c1-7(2)11-10(3,8-5-6-8)9(12)13-4/h7-8,11H,5-6H2,1-4H3
InChIKeyUUONOFBJTAXOGS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds4

About methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate

methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate (PubChem CID 60786156) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
PubChem CID60786156
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(NC(C)C)C1CC1
InChIInChI=1S/C10H19NO2/c1-7(2)11-10(3,8-5-6-8)9(12)13-4/h7-8,11H,5-6H2,1-4H3
InChIKeyUUONOFBJTAXOGS-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-2-(propan-2-ylamino)propanoate
CID 63921517
methyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 63919161
methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
methyl 2-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63908288
methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate
CID 43726079
methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63908711
methyl 2-cyclopropyl-2-hydroxypropanoate
CID 62212878
methyl 3-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 63120139
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63911706
methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63907850
methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 63632356

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate (CID 60786156) is methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate is COC(=O)C(C)(NC(C)C)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The InChIKey is UUONOFBJTAXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)11-10(3,8-5-6-8)9(12)13-4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate?
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 60786156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).