methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate

C9H17N3O3 — CID 59006518

IUPACmethyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
SMILESCNC(=O)NC[C@H]1CCN(C(=O)OC)C1
InChIInChI=1S/C9H17N3O3/c1-10-8(13)11-5-7-3-4-12(6-7)9(14)15-2/h7H,3-6H2,1-2H3,(H2,10,11,13)/t7-/m1/s1
InChIKeyGUGSZAZCTJAQRF-SSDOTTSWSA-N
MW215.25 g/mol
LogP0.00
Rot. Bonds2

About methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate

methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate (PubChem CID 59006518) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
PubChem CID59006518
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Namemethyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
SMILESCNC(=O)NC[C@H]1CCN(C(=O)OC)C1
InChIInChI=1S/C9H17N3O3/c1-10-8(13)11-5-7-3-4-12(6-7)9(14)15-2/h7H,3-6H2,1-2H3,(H2,10,11,13)/t7-/m1/s1
InChIKeyGUGSZAZCTJAQRF-SSDOTTSWSA-N
XLogP0.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
CID 170984745
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 86882343
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
tert-butyl (3R)-3-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 96551831
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
methyl 3-(iodomethyl)piperidine-1-carboxylate
CID 143863584
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate (CID 59006518) is methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate is CNC(=O)NC[C@H]1CCN(C(=O)OC)C1.
What is the InChIKey of methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate?
The InChIKey is GUGSZAZCTJAQRF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-10-8(13)11-5-7-3-4-12(6-7)9(14)15-2/h7H,3-6H2,1-2H3,(H2,10,11,13)/t7-/m1/s1.
What are the key properties of methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate?
methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 59006518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).