methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate

C11H19NO2 — CID 61001123

IUPACmethyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCC1CC1)C1CC1
InChIInChI=1S/C11H19NO2/c1-11(9-5-6-9,10(13)14-2)12-7-8-3-4-8/h8-9,12H,3-7H2,1-2H3
InChIKeyANBDHGINNKPICG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds5

About methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate

methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate (PubChem CID 61001123) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
PubChem CID61001123
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCC1CC1)C1CC1
InChIInChI=1S/C11H19NO2/c1-11(9-5-6-9,10(13)14-2)12-7-8-3-4-8/h8-9,12H,3-7H2,1-2H3
InChIKeyANBDHGINNKPICG-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
CID 97220901
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate
CID 61001229
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156
methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate
CID 54894120
ethyl 2-cyclopropyl-2-(ethylamino)propanoate
CID 60788384
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868158
methyl 2-cyclopropyl-2-hydroxypropanoate
CID 62212878
methyl 2-(cyclopropylmethylamino)-2-methylnonanoate
CID 54894023
2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile
CID 60996499
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate (CID 61001123) is methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate is COC(=O)C(C)(NCC1CC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate?
The InChIKey is ANBDHGINNKPICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(9-5-6-9,10(13)14-2)12-7-8-3-4-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate?
methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate has a molecular weight of 197.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate is sourced from PubChem (CID 61001123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).