methyl 2-(benzylamino)-2-cyclopropylacetate

C13H17NO2 — CID 61310357

IUPACmethyl 2-(benzylamino)-2-cyclopropylacetate
SMILESCOC(=O)C(NCc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO2/c1-16-13(15)12(11-7-8-11)14-9-10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3
InChIKeyMAOFRVAWNYNGOV-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.73
Rot. Bonds5

About methyl 2-(benzylamino)-2-cyclopropylacetate

methyl 2-(benzylamino)-2-cyclopropylacetate (PubChem CID 61310357) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(benzylamino)-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-2-cyclopropylacetate
PubChem CID61310357
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(benzylamino)-2-cyclopropylacetate
SMILESCOC(=O)C(NCc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO2/c1-16-13(15)12(11-7-8-11)14-9-10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3
InChIKeyMAOFRVAWNYNGOV-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(benzylamino)-2-cyclopropylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2-(benzylamino)propanedioate
CID 562185
methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl (2R)-2-(benzylamino)-3-sulfanylpropanoate
CID 21155893
methyl 3-(benzylamino)butanoate
CID 13416927
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
CID 56777091
2-(benzylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 134231640
methyl 2-cyclopropyl-2-[(2-methyl-3-nitrophenyl)methylamino]acetate
CID 103096992
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
CID 104693831

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-2-cyclopropylacetate?
The IUPAC name of methyl 2-(benzylamino)-2-cyclopropylacetate (CID 61310357) is methyl 2-(benzylamino)-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-(benzylamino)-2-cyclopropylacetate?
The canonical SMILES for methyl 2-(benzylamino)-2-cyclopropylacetate is COC(=O)C(NCc1ccccc1)C1CC1.
What is the InChIKey of methyl 2-(benzylamino)-2-cyclopropylacetate?
The InChIKey is MAOFRVAWNYNGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)12(11-7-8-11)14-9-10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3.
What are the key properties of methyl 2-(benzylamino)-2-cyclopropylacetate?
methyl 2-(benzylamino)-2-cyclopropylacetate has a molecular weight of 219.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-2-cyclopropylacetate is sourced from PubChem (CID 61310357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).