(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid

C10H15NO4 — CID 129370986

IUPAC(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
SMILESCOC[C@@H]1CCN(C(=O)/C=C/C(=O)O)C1
InChIInChI=1S/C10H15NO4/c1-15-7-8-4-5-11(6-8)9(12)2-3-10(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+/t8-/m1/s1
InChIKeyGMZVFCZQFPOALY-UFUPEUMYSA-N
MW213.23 g/mol
LogP0.12
Rot. Bonds4

About (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid

(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid (PubChem CID 129370986) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
PubChem CID129370986
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
SMILESCOC[C@@H]1CCN(C(=O)/C=C/C(=O)O)C1
InChIInChI=1S/C10H15NO4/c1-15-7-8-4-5-11(6-8)9(12)2-3-10(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+/t8-/m1/s1
InChIKeyGMZVFCZQFPOALY-UFUPEUMYSA-N
XLogP0.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic 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

(E)-4-[(3S)-3-(methoxymethyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 129414306
(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-20-[4-(methoxymethyl)piperidin-1-yl]-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
CID 170407426
(E)-4-[(3R,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 129494693
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
3-[4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-enoic acid
CID 77048470
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
4-[4-(methoxymethyl)piperidin-1-yl]but-2-enoic acid
CID 76997434
2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
CID 64597214
4-(3,5-dimethylpiperidin-1-yl)-4-oxobut-2-enoic acid
CID 3632735
(E)-4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]but-2-enoic acid
CID 112746710
N,N-diethyl-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 115642604

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid (CID 129370986) is (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid is COC[C@@H]1CCN(C(=O)/C=C/C(=O)O)C1.
What is the InChIKey of (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid?
The InChIKey is GMZVFCZQFPOALY-UFUPEUMYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-15-7-8-4-5-11(6-8)9(12)2-3-10(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+/t8-/m1/s1.
What are the key properties of (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid?
(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid is sourced from PubChem (CID 129370986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).