methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate

C10H17N5O3 — CID 21341750

IUPACmethyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(N=[N+]=[N-])CN1C(=O)CN(C)C
InChIInChI=1S/C10H17N5O3/c1-14(2)6-9(16)15-5-7(12-13-11)4-8(15)10(17)18-3/h7-8H,4-6H2,1-3H3
InChIKeyCMRSVXNEQGXJAL-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.00
Rot. Bonds4

About methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate

methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate (PubChem CID 21341750) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate
PubChem CID21341750
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Namemethyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(N=[N+]=[N-])CN1C(=O)CN(C)C
InChIInChI=1S/C10H17N5O3/c1-14(2)6-9(16)15-5-7(12-13-11)4-8(15)10(17)18-3/h7-8H,4-6H2,1-3H3
InChIKeyCMRSVXNEQGXJAL-UHFFFAOYSA-N
XLogP0.00
TPSA98.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate
CID 11219435
1-O-tert-butyl 2-O-methyl 4-azidopyrrolidine-1,2-dicarboxylate
CID 14772683
1-O-tert-butyl 2-O-methyl (2S)-4-azidopyrrolidine-1,2-dicarboxylate
CID 57298147
methyl (2S,4S)-4-azido-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxylate
CID 139684114
1-O-benzyl 2-O-methyl (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylate
CID 11162503
methyl (2S,4R)-1-(2-amino-3-cyclohexylpropanoyl)-4-azidopyrrolidine-2-carboxylate;hydrochloride
CID 175399297
methyl (2S,4R)-4-azido-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carboxylate
CID 46241940
methyl (2S,4R)-4-azido-1-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoylamino]acetyl]pyrrolidine-2-carboxylate
CID 155613494
(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 155212930
tert-butyl (2S)-4-azido-2-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 139261908
(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid
CID 90986921
methyl 4-azidopyrrolidine-2-carboxylate
CID 14036246

Frequently Asked Questions

What is the IUPAC name of methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate (CID 21341750) is methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(N=[N+]=[N-])CN1C(=O)CN(C)C.
What is the InChIKey of methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is CMRSVXNEQGXJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-14(2)6-9(16)15-5-7(12-13-11)4-8(15)10(17)18-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate?
methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 255.28 g/mol, XLogP of 0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-azido-1-[2-(dimethylamino)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 21341750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).