methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate

C10H16N2O3 — CID 71998519

IUPACmethyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)C2CC2)C1
InChIInChI=1S/C10H16N2O3/c1-15-10(14)12-5-4-8(6-12)11-9(13)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,13)
InChIKeyNDXVDJZAYRTCOZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.35
Rot. Bonds2

About methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate

methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate (PubChem CID 71998519) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
PubChem CID71998519
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)C2CC2)C1
InChIInChI=1S/C10H16N2O3/c1-15-10(14)12-5-4-8(6-12)11-9(13)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,13)
InChIKeyNDXVDJZAYRTCOZ-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[(4-cycloheptylcyclohexanecarbonyl)amino]pyrrolidine-1-carboxylate
CID 139459619
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
CID 177317699
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494
tert-butyl (3R)-3-[(N'-methylcarbamimidoyl)amino]pyrrolidine-1-carboxylate
CID 167022048
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide
CID 108561745
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate (CID 71998519) is methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate is COC(=O)N1CCC(NC(=O)C2CC2)C1.
What is the InChIKey of methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate?
The InChIKey is NDXVDJZAYRTCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-15-10(14)12-5-4-8(6-12)11-9(13)7-2-3-7/h7-8H,2-6H2,1H3,(H,11,13).
What are the key properties of methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate?
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71998519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).