4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C15H24N2O3 — CID 60808417

IUPAC4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(6-8-13)15(19)20/h3-4,12-13,16H,1-2,5-11H2,(H,19,20)
InChIKeyBPHMFTIAXODRGJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.42
Rot. Bonds8

About 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60808417) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60808417
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(6-8-13)15(19)20/h3-4,12-13,16H,1-2,5-11H2,(H,19,20)
InChIKeyBPHMFTIAXODRGJ-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044263
4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809865
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60808261
4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
CID 107007791
4-[[2-[bis(prop-2-enyl)amino]-3-methylbutyl]amino]cyclohexane-1-carboxylic acid
CID 122030252
4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid
CID 60808095
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697513
2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide
CID 99792155
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60808417) is 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is C=CCN(CC=C)C(=O)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BPHMFTIAXODRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(6-8-13)15(19)20/h3-4,12-13,16H,1-2,5-11H2,(H,19,20).
What are the key properties of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).