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

C10H17NO2 — CID 103243404

IUPAC2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1(C)CCCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(9(12)13)7-11-10(2)5-3-4-6-10/h11H,1,3-7H2,2H3,(H,12,13)
InChIKeyLBRDWAABFSBKBX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds4

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

2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid (PubChem CID 103243404) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid
PubChem CID103243404
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1(C)CCCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(9(12)13)7-11-10(2)5-3-4-6-10/h11H,1,3-7H2,2H3,(H,12,13)
InChIKeyLBRDWAABFSBKBX-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
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-[(Octylamino)methyl]prop-2-enoic acid
CID 87504841
2-[[Cyclopentylmethyl(methyl)amino]methyl]prop-2-enoic acid
CID 64115483
2-[(2-Methylbutan-2-ylamino)methyl]prop-2-enoic acid
CID 103230921
2-[(Cyclopentylamino)methyl]prop-2-enoic acid
CID 103231082
2-[(Pentan-2-ylamino)methyl]prop-2-enoic acid
CID 103231814
2-[[(4-Methylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234013
2-[[(2-Methylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103235511
2-[(4-Methylpentan-2-ylamino)methyl]prop-2-enoic acid
CID 103237668
2-[[(3-Methylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103237713

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid (CID 103243404) is 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid is C=C(CNC1(C)CCCC1)C(=O)O.
What is the InChIKey of 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid?
The InChIKey is LBRDWAABFSBKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(9(12)13)7-11-10(2)5-3-4-6-10/h11H,1,3-7H2,2H3,(H,12,13).
What are the key properties of 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid?
2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylcyclopentyl)amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103243404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).