5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid

C16H27NO6 — CID 67637268

IUPAC5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid
SMILESCC(=CCCN1CCOCC1)C(=O)O.CC(=CCCO)C(=O)O
InChIInChI=1S/C10H17NO3.C6H10O3/c1-9(10(12)13)3-2-4-11-5-7-14-8-6-11;1-5(6(8)9)3-2-4-7/h3H,2,4-8H2,1H3,(H,12,13);3,7H,2,4H2,1H3,(H,8,9)
InChIKeyGPKGGJYUKALRGM-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.14
Rot. Bonds7

About 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid

5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid (PubChem CID 67637268) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid
PubChem CID67637268
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid
SMILESCC(=CCCN1CCOCC1)C(=O)O.CC(=CCCO)C(=O)O
InChIInChI=1S/C10H17NO3.C6H10O3/c1-9(10(12)13)3-2-4-11-5-7-14-8-6-11;1-5(6(8)9)3-2-4-7/h3H,2,4-8H2,1H3,(H,12,13);3,7H,2,4H2,1H3,(H,8,9)
InChIKeyGPKGGJYUKALRGM-UHFFFAOYSA-N
XLogP1.14
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-5-morpholin-4-ylpent-2-enoic acid
CID 19428816
(E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid
CID 19881474
5-[Bis(2-methoxyethyl)amino]-2-methylpent-2-enoic acid
CID 57073490
2-Methyl-5-morpholin-4-ylpent-2-enoic acid
CID 57216518
4-[3-[2-(Dimethylamino)ethoxy]propylidene]-2-methylpent-2-enedioic acid
CID 57287200
5-[2-Hydroxyethyl(methyl)amino]-2-methylpent-2-enoic acid
CID 57297899
2-Methyl-4-morpholin-4-ylpent-2-enoic acid
CID 66586720
(2E)-2-methyl-3-morpholin-4-ylhexa-2,5-dienoic acid
CID 69340388
2-Methyl-4-morpholin-4-ylhexa-2,5-dienoic acid
CID 69340391
Morpholin-4-yl 5-hydroxy-2-methylpent-2-enoate
CID 69618135
(E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
CID 87517833
(E)-2-(2-morpholin-4-ylethyl)but-2-enedioic acid
CID 89724564

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid?
The IUPAC name of 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid (CID 67637268) is 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid.
What is the SMILES notation for 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid?
The canonical SMILES for 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid is CC(=CCCN1CCOCC1)C(=O)O.CC(=CCCO)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid?
The InChIKey is GPKGGJYUKALRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.C6H10O3/c1-9(10(12)13)3-2-4-11-5-7-14-8-6-11;1-5(6(8)9)3-2-4-7/h3H,2,4-8H2,1H3,(H,12,13);3,7H,2,4H2,1H3,(H,8,9).
What are the key properties of 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid?
5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid has a molecular weight of 329.39 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid is sourced from PubChem (CID 67637268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).