2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid

C11H19NO4 — CID 174941495

IUPAC2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid
SMILESC=C(C)C(=O)O.O=C(O)CN1CCCCC1
InChIInChI=1S/C7H13NO2.C4H6O2/c9-7(10)6-8-4-2-1-3-5-8;1-3(2)4(5)6/h1-6H2,(H,9,10);1H2,2H3,(H,5,6)
InChIKeyNUMQQHZTMCJWTJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.20
Rot. Bonds3

About 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid

2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid (PubChem CID 174941495) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid
PubChem CID174941495
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid
SMILESC=C(C)C(=O)O.O=C(O)CN1CCCCC1
InChIInChI=1S/C7H13NO2.C4H6O2/c9-7(10)6-8-4-2-1-3-5-8;1-3(2)4(5)6/h1-6H2,(H,9,10);1H2,2H3,(H,5,6)
InChIKeyNUMQQHZTMCJWTJ-UHFFFAOYSA-N
XLogP1.20
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
2-[5-(carboxymethyl)-9-(2-oxopropyl)-1,5,9-triazacyclododec-1-yl]acetic acid;ethane
CID 177180510
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidine
CID 153374004
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
[1,4'-Bipiperidine]-1'-aceticacid,potassiumsalt(1:1)
CID 70199542
2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid
CID 155726280
2-[4-(2-methylprop-2-enoylamino)piperidin-1-yl]acetic acid
CID 67045024
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)
CID 68948425

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid?
The IUPAC name of 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid (CID 174941495) is 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid is C=C(C)C(=O)O.O=C(O)CN1CCCCC1.
What is the InChIKey of 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid?
The InChIKey is NUMQQHZTMCJWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C4H6O2/c9-7(10)6-8-4-2-1-3-5-8;1-3(2)4(5)6/h1-6H2,(H,9,10);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid?
2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid has a molecular weight of 229.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid is sourced from PubChem (CID 174941495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).