methyl 2-(cyclopropylmethylamino)propanoate

C8H15NO2 — CID 60780744

IUPACmethyl 2-(cyclopropylmethylamino)propanoate
SMILESCOC(=O)C(C)NCC1CC1
InChIInChI=1S/C8H15NO2/c1-6(8(10)11-2)9-5-7-3-4-7/h6-7,9H,3-5H2,1-2H3
InChIKeyRBSQUVHRFYGNAS-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds4

About methyl 2-(cyclopropylmethylamino)propanoate

methyl 2-(cyclopropylmethylamino)propanoate (PubChem CID 60780744) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)propanoate
PubChem CID60780744
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-(cyclopropylmethylamino)propanoate
SMILESCOC(=O)C(C)NCC1CC1
InChIInChI=1S/C8H15NO2/c1-6(8(10)11-2)9-5-7-3-4-7/h6-7,9H,3-5H2,1-2H3
InChIKeyRBSQUVHRFYGNAS-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate
CID 66173751
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
2-(cyclohexylmethylamino)propanamide
CID 43216154
methyl 2-(cyclopropylmethylamino)-3-methylpentanoate
CID 43732464
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
tert-butyl 2-[(4-ethylcyclohexyl)methylamino]propanoate
CID 66338686
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
3-(cyclopropylmethylamino)-2-methylbutanoic acid
CID 79392139

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)propanoate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)propanoate (CID 60780744) is methyl 2-(cyclopropylmethylamino)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)propanoate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)propanoate is COC(=O)C(C)NCC1CC1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)propanoate?
The InChIKey is RBSQUVHRFYGNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(10)11-2)9-5-7-3-4-7/h6-7,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)propanoate?
methyl 2-(cyclopropylmethylamino)propanoate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)propanoate is sourced from PubChem (CID 60780744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).