2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid

C9H15NO2 — CID 103237446

IUPAC2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid
SMILESC=C(CNCC1CCC1)C(=O)O
InChIInChI=1S/C9H15NO2/c1-7(9(11)12)5-10-6-8-3-2-4-8/h8,10H,1-6H2,(H,11,12)
InChIKeyZFMOGDVBUZAKPO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.02
Rot. Bonds5

About 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid

2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid (PubChem CID 103237446) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid
PubChem CID103237446
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid
SMILESC=C(CNCC1CCC1)C(=O)O
InChIInChI=1S/C9H15NO2/c1-7(9(11)12)5-10-6-8-3-2-4-8/h8,10H,1-6H2,(H,11,12)
InChIKeyZFMOGDVBUZAKPO-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.02
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-[(5,5,5-Trifluoropentylamino)methyl]prop-2-enoic acid
CID 103262036
2-(Butylaminomethyl)prop-2-enoic acid
CID 87476634
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-[[Cyclobutylmethyl(methyl)amino]methyl]prop-2-enoic acid
CID 64116306
2-[(3-Methylbutan-2-ylamino)methyl]prop-2-enoic acid
CID 103230430
2-[(2-Methylpropylamino)methyl]prop-2-enoic acid
CID 103231045
2-[(Cyclopentylamino)methyl]prop-2-enoic acid
CID 103231082
2-[(Cyclopropylmethylamino)methyl]prop-2-enoic acid
CID 103231165
2-[(Pentan-2-ylamino)methyl]prop-2-enoic acid
CID 103231814

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid (CID 103237446) is 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid is C=C(CNCC1CCC1)C(=O)O.
What is the InChIKey of 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid?
The InChIKey is ZFMOGDVBUZAKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(9(11)12)5-10-6-8-3-2-4-8/h8,10H,1-6H2,(H,11,12).
What are the key properties of 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid?
2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylmethylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103237446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).