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

C8H14N2O4 — CID 175981935

IUPAC4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid
SMILESCCNC1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-2-9-5-3-6(7(11)12)10(4-5)8(13)14/h5-6,9H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyYAUFQUPJGAQUHN-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.20
Rot. Bonds3

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

4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 175981935) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid
PubChem CID175981935
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid
SMILESCCNC1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-2-9-5-3-6(7(11)12)10(4-5)8(13)14/h5-6,9H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyYAUFQUPJGAQUHN-UHFFFAOYSA-N
XLogP-0.20
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
CID 22181503
(2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid
CID 66964992
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
CID 83990502
(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
(2S,4R)-4-propan-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 170164416
4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid
CID 76529635
(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843531
(2S,4R)-4-(2-cyclobutylethyl)pyrrolidine-1,2-dicarboxylic acid
CID 141105885
(2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylic acid
CID 91519767
(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid
CID 175571168
2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
CID 83990535

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid (CID 175981935) is 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid is CCNC1CC(C(=O)O)N(C(=O)O)C1.
What is the InChIKey of 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is YAUFQUPJGAQUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-2-9-5-3-6(7(11)12)10(4-5)8(13)14/h5-6,9H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid?
4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 175981935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).