methyl 2-cyclopropyl-3-(methylamino)propanoate

C8H15NO2 — CID 117245476

IUPACmethyl 2-cyclopropyl-3-(methylamino)propanoate
SMILESCNCC(C(=O)OC)C1CC1
InChIInChI=1S/C8H15NO2/c1-9-5-7(6-3-4-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyJMTCMGLAPWMAHN-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-cyclopropyl-3-(methylamino)propanoate

methyl 2-cyclopropyl-3-(methylamino)propanoate (PubChem CID 117245476) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(methylamino)propanoate
PubChem CID117245476
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-cyclopropyl-3-(methylamino)propanoate
SMILESCNCC(C(=O)OC)C1CC1
InChIInChI=1S/C8H15NO2/c1-9-5-7(6-3-4-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyJMTCMGLAPWMAHN-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(methylamino)-2-(thian-4-yl)propanoate
CID 117239539
methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
CID 117245851
methyl 2-cyclobutyl-3-(cyclobutylamino)propanoate
CID 117245680
methyl 2-cyclopentyl-3-sulfanylpropanoate
CID 117245914
2,15-dicyclopropyl-16-methoxy-16-oxohexadecanoic acid
CID 66795678
methyl 2-chloro-2-cyclopropylacetate
CID 15659586
methyl (2S)-2-cyclohexyl-4-(methylamino)-4-oxobutanoate
CID 58938762
methyl 2-cyclobutyl-3-methylsulfanylpropanoate
CID 117245749
3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
methyl 3-methylsulfonyl-2-(thian-4-yl)propanoate
CID 117239646
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(methylamino)propanoate (CID 117245476) is methyl 2-cyclopropyl-3-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(methylamino)propanoate is CNCC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(methylamino)propanoate?
The InChIKey is JMTCMGLAPWMAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-5-7(6-3-4-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-3-(methylamino)propanoate?
methyl 2-cyclopropyl-3-(methylamino)propanoate has a molecular weight of 157.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(methylamino)propanoate is sourced from PubChem (CID 117245476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).