3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid

C8H14N4O4 — CID 137480495

IUPAC3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid
SMILESCOCCOC1CN(C(=O)O)CC1N=[N+]=[N-]
InChIInChI=1S/C8H14N4O4/c1-15-2-3-16-7-5-12(8(13)14)4-6(7)10-11-9/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyKOQODSYDBTVJKS-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.69
Rot. Bonds5

About 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid

3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid (PubChem CID 137480495) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid
PubChem CID137480495
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid
SMILESCOCCOC1CN(C(=O)O)CC1N=[N+]=[N-]
InChIInChI=1S/C8H14N4O4/c1-15-2-3-16-7-5-12(8(13)14)4-6(7)10-11-9/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyKOQODSYDBTVJKS-UHFFFAOYSA-N
XLogP0.69
TPSA107.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-3-azido-4-methoxypyrrolidine-1-carboxylic acid
CID 137480598
3-azido-4-prop-2-ynoxypyrrolidine-1-carboxylic acid
CID 91013284
3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326461
(3S,4R)-3,4-diazidopyrrolidine-1-carboxylic acid
CID 170159879
tert-butyl (3S,4R)-3-azido-4-methoxypyrrolidine-1-carboxylate
CID 92859268
tert-butyl (3S,4S)-3-azido-4-but-2-ynoxypyrrolidine-1-carboxylate
CID 59587918
tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate
CID 118329695
[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium
CID 118326464
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
tert-butyl 3-azido-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 73081086
benzyl (3R,4R)-3-azido-4-(trioxidanyl)pyrrolidine-1-carboxylate
CID 58395781
tert-butyl (3R,4R,6S)-3-azido-6-fluoro-4-phenylmethoxyazepane-1-carboxylate
CID 71524465

Frequently Asked Questions

What is the IUPAC name of 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid (CID 137480495) is 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid is COCCOC1CN(C(=O)O)CC1N=[N+]=[N-].
What is the InChIKey of 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid?
The InChIKey is KOQODSYDBTVJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-15-2-3-16-7-5-12(8(13)14)4-6(7)10-11-9/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid?
3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 137480495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).