methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate

C12H22N2O2 — CID 104866700

IUPACmethyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-8-6-10(7-14(8)11-4-5-11)13-9(2)12(15)16-3/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?/m0/s1
InChIKeyOSEAAEZNEYQESC-KYHHOPLUSA-N
MW226.32 g/mol
LogP0.76
Rot. Bonds4

About methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate

methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate (PubChem CID 104866700) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate
PubChem CID104866700
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-8-6-10(7-14(8)11-4-5-11)13-9(2)12(15)16-3/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?/m0/s1
InChIKeyOSEAAEZNEYQESC-KYHHOPLUSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol
CID 103789093
1-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719166
N-butan-2-yl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115705721
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719729
4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride
CID 120597502
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpropanamide
CID 119900290
methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
CID 79462002
3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881579
1-cyclopropyl-5-methyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidin-3-amine
CID 115722032
methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561384
(2S)-2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-methylsulfanylbutanamide
CID 119900300
methyl (2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 7740869

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate (CID 104866700) is methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate is COC(=O)[C@H](C)NC1CC(C)N(C2CC2)C1.
What is the InChIKey of methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate?
The InChIKey is OSEAAEZNEYQESC-KYHHOPLUSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-6-10(7-14(8)11-4-5-11)13-9(2)12(15)16-3/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?/m0/s1.
What are the key properties of methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate?
methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate has a molecular weight of 226.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate is sourced from PubChem (CID 104866700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).