4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid

C7H12N2O4 — CID 45089180

IUPAC4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)N1CC(N)C(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c1-13-7(12)9-2-4(6(10)11)5(8)3-9/h4-5H,2-3,8H2,1H3,(H,10,11)
InChIKeyXEHWIRFSIOVWPN-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.90
Rot. Bonds1

About 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid

4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 45089180) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID45089180
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)N1CC(N)C(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c1-13-7(12)9-2-4(6(10)11)5(8)3-9/h4-5H,2-3,8H2,1H3,(H,10,11)
InChIKeyXEHWIRFSIOVWPN-UHFFFAOYSA-N
XLogP-0.90
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 170992486
dimethyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 10130414
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
1-O-tert-butyl 3-O-methyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate
CID 58582417
methyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 130815114
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
CID 83989684
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
ditert-butyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 163359559
2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid
CID 83989090
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 58557112
methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate
CID 146514103
methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate
CID 86780329

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid (CID 45089180) is 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid is COC(=O)N1CC(N)C(C(=O)O)C1.
What is the InChIKey of 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is XEHWIRFSIOVWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-13-7(12)9-2-4(6(10)11)5(8)3-9/h4-5H,2-3,8H2,1H3,(H,10,11).
What are the key properties of 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid?
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 45089180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).