methyl 3-carbamoylpyrrolidine-1-carboxylate

C7H12N2O3 — CID 103623470

IUPACmethyl 3-carbamoylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C7H12N2O3/c1-12-7(11)9-3-2-5(4-9)6(8)10/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyZIIPCCZQTCBQBX-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.44
Rot. Bonds1

About methyl 3-carbamoylpyrrolidine-1-carboxylate

methyl 3-carbamoylpyrrolidine-1-carboxylate (PubChem CID 103623470) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl 3-carbamoylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbamoylpyrrolidine-1-carboxylate
PubChem CID103623470
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namemethyl 3-carbamoylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C7H12N2O3/c1-12-7(11)9-3-2-5(4-9)6(8)10/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyZIIPCCZQTCBQBX-UHFFFAOYSA-N
XLogP-0.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-[(Z)-3-hydroxybut-2-en-2-yl]pyrrolidine-1-carboxylate
CID 142072682
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
methyl 4-(2-aminoacetyl)piperidine-1-carboxylate
CID 115006817
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-carbamoylpyrrolidine-1-carboxylate (CID 103623470) is methyl 3-carbamoylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-carbamoylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-carbamoylpyrrolidine-1-carboxylate is COC(=O)N1CCC(C(N)=O)C1.
What is the InChIKey of methyl 3-carbamoylpyrrolidine-1-carboxylate?
The InChIKey is ZIIPCCZQTCBQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-12-7(11)9-3-2-5(4-9)6(8)10/h5H,2-4H2,1H3,(H2,8,10).
What are the key properties of methyl 3-carbamoylpyrrolidine-1-carboxylate?
methyl 3-carbamoylpyrrolidine-1-carboxylate has a molecular weight of 172.18 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoylpyrrolidine-1-carboxylate is sourced from PubChem (CID 103623470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).