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

C11H19NO2 — CID 103237247

IUPAC2-[(cycloheptylamino)methyl]prop-2-enoic acid
SMILESC=C(CNC1CCCCCC1)C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(11(13)14)8-12-10-6-4-2-3-5-7-10/h10,12H,1-8H2,(H,13,14)
InChIKeyOHFZAHLHQJTXAX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.94
Rot. Bonds4

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

2-[(cycloheptylamino)methyl]prop-2-enoic acid (PubChem CID 103237247) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(cycloheptylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(cycloheptylamino)methyl]prop-2-enoic acid
PubChem CID103237247
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(cycloheptylamino)methyl]prop-2-enoic acid
SMILESC=C(CNC1CCCCCC1)C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(11(13)14)8-12-10-6-4-2-3-5-7-10/h10,12H,1-8H2,(H,13,14)
InChIKeyOHFZAHLHQJTXAX-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.94
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-[(cyclobutylamino)methyl]prop-2-enoic acid
CID 103250129
N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine
CID 24974469
2-[[(3-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253788
2-[[(4-propylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103245657
sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
2-(cyclohexylamino)acetic acid;cyclopentanecarboxylic acid
CID 174421767
4-(cyclohexylamino)-2-methylidene-4-oxobutanoic acid
CID 121219316
2-[[(3,4-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253355
2-(cyclohexylamino)acetamide
CID 13444045
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103246772
2-[(1-cyclohexylpropylamino)methyl]prop-2-enoic acid
CID 103249992

Frequently Asked Questions

What is the IUPAC name of 2-[(cycloheptylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(cycloheptylamino)methyl]prop-2-enoic acid (CID 103237247) is 2-[(cycloheptylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(cycloheptylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(cycloheptylamino)methyl]prop-2-enoic acid is C=C(CNC1CCCCCC1)C(=O)O.
What is the InChIKey of 2-[(cycloheptylamino)methyl]prop-2-enoic acid?
The InChIKey is OHFZAHLHQJTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(11(13)14)8-12-10-6-4-2-3-5-7-10/h10,12H,1-8H2,(H,13,14).
What are the key properties of 2-[(cycloheptylamino)methyl]prop-2-enoic acid?
2-[(cycloheptylamino)methyl]prop-2-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cycloheptylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103237247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).