(3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid

C8H14N2O3 — CID 175205498

IUPAC(3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCN(C)/C=C1\CN(C(=O)O)CC1O
InChIInChI=1S/C8H14N2O3/c1-9(2)3-6-4-10(8(12)13)5-7(6)11/h3,7,11H,4-5H2,1-2H3,(H,12,13)/b6-3+
InChIKeyMAXJQMDPQYYJPC-ZZXKWVIFSA-N
MW186.21 g/mol
LogP-0.21
Rot. Bonds1

About (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid

(3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 175205498) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID175205498
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCN(C)/C=C1\CN(C(=O)O)CC1O
InChIInChI=1S/C8H14N2O3/c1-9(2)3-6-4-10(8(12)13)5-7(6)11/h3,7,11H,4-5H2,1-2H3,(H,12,13)/b6-3+
InChIKeyMAXJQMDPQYYJPC-ZZXKWVIFSA-N
XLogP-0.21
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid
CID 129284910
(3R,4S)-3-(dimethylamino)-4-fluoropyrrolidine-1-carboxylic acid
CID 175112596
3-[(Z)-prop-1-enyl]pyrrolidine-1-carboxylic acid
CID 150375407
3-methylsulfanylazetidine-1-carboxylic acid
CID 118168697
benzyl (4E)-4-(dimethylaminomethylidene)-3-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 162361679
3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 154144585
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 175591684
3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid
CID 67107417
(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
CID 177212552
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
3-methyl-4-(2-oxoethylidene)piperidine-1-carboxylic acid
CID 74013277

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid (CID 175205498) is (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid is CN(C)/C=C1\CN(C(=O)O)CC1O.
What is the InChIKey of (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is MAXJQMDPQYYJPC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9(2)3-6-4-10(8(12)13)5-7(6)11/h3,7,11H,4-5H2,1-2H3,(H,12,13)/b6-3+.
What are the key properties of (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid?
(3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(dimethylaminomethylidene)-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175205498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).