2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid

C11H19NO2 — CID 103250801

IUPAC2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCC1(C)CCCC1)C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(10(13)14)7-12-8-11(2)5-3-4-6-11/h12H,1,3-8H2,2H3,(H,13,14)
InChIKeyGZYCIUGKVNZQHY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.80
Rot. Bonds5

About 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid

2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid (PubChem CID 103250801) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid
PubChem CID103250801
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCC1(C)CCCC1)C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(10(13)14)7-12-8-11(2)5-3-4-6-11/h12H,1,3-8H2,2H3,(H,13,14)
InChIKeyGZYCIUGKVNZQHY-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Pentylamino)methyl]prop-2-enoic acid
CID 87503709
2-[(Heptylamino)methyl]prop-2-enoic acid
CID 87503931
2-[(Hexylamino)methyl]prop-2-enoic acid
CID 87504774
2-[[Cyclopentylmethyl(methyl)amino]methyl]prop-2-enoic acid
CID 64115483
4-(Cyclopentylmethylamino)-2-methylbut-2-enoic acid
CID 103237730
2-[(Cyclopentylmethylamino)methyl]prop-2-enoic acid
CID 103237760
2-[(2-Cyclopentylethylamino)methyl]prop-2-enoic acid
CID 103240052
2-[(4-Methylpentylamino)methyl]prop-2-enoic acid
CID 103242431
2-[[(1-Methylcyclopentyl)amino]methyl]prop-2-enoic acid
CID 103243404
2-[[(1-Methylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103244867
2-[(2,4,4-Trimethylpentan-2-ylamino)methyl]prop-2-enoic acid
CID 103246927
2-[[(4-Methylcyclohexyl)methylamino]methyl]prop-2-enoic acid
CID 103250451

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid (CID 103250801) is 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid is C=C(CNCC1(C)CCCC1)C(=O)O.
What is the InChIKey of 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid?
The InChIKey is GZYCIUGKVNZQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(10(13)14)7-12-8-11(2)5-3-4-6-11/h12H,1,3-8H2,2H3,(H,13,14).
What are the key properties of 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid?
2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylcyclopentyl)methylamino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103250801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).