methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate

C9H18N2O2 — CID 15879442

IUPACmethyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCCN
InChIInChI=1S/C9H18N2O2/c1-13-9(12)8-4-2-6-11(8)7-3-5-10/h8H,2-7,10H2,1H3
InChIKeyFOFZFXZVYWUCBM-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds4

About methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate

methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate (PubChem CID 15879442) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
PubChem CID15879442
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCCN
InChIInChI=1S/C9H18N2O2/c1-13-9(12)8-4-2-6-11(8)7-3-5-10/h8H,2-7,10H2,1H3
InChIKeyFOFZFXZVYWUCBM-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
CID 54569237
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 63382826
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate (CID 15879442) is methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CCCN.
What is the InChIKey of methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate?
The InChIKey is FOFZFXZVYWUCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-9(12)8-4-2-6-11(8)7-3-5-10/h8H,2-7,10H2,1H3.
What are the key properties of methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate?
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 15879442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).