4-(methylamino)pyrrolidine-1,2-dicarboxylic acid

C7H12N2O4 — CID 22181503

IUPAC4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
SMILESCNC1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c1-8-4-2-5(6(10)11)9(3-4)7(12)13/h4-5,8H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyMFHGRSMAIMOMED-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.59
Rot. Bonds2

About 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid

4-(methylamino)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 22181503) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
PubChem CID22181503
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
SMILESCNC1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c1-8-4-2-5(6(10)11)9(3-4)7(12)13/h4-5,8H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyMFHGRSMAIMOMED-UHFFFAOYSA-N
XLogP-0.59
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid
CID 175981935
(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1,2-dicarboxylic acid
CID 139415640
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid
CID 76529635
(2S,4R)-4-propan-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 170164416
(2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid
CID 66964992
(3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid
CID 118495986
(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid
CID 175571168
(2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylic acid
CID 91519767
(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
CID 90721203
4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid
CID 139534258
(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid
CID 153347204

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid (CID 22181503) is 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid is CNC1CC(C(=O)O)N(C(=O)O)C1.
What is the InChIKey of 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is MFHGRSMAIMOMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-8-4-2-5(6(10)11)9(3-4)7(12)13/h4-5,8H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid?
4-(methylamino)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 22181503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).