2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid

C14H24N2O3 — CID 79276691

IUPAC2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N2O3/c1-2-9-16(11-14(18)19)10-13(17)15-12-7-5-3-4-6-8-12/h2,12H,1,3-11H2,(H,15,17)(H,18,19)
InChIKeyMFDPAIRUYGYDNP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.40
Rot. Bonds7

About 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid

2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid (PubChem CID 79276691) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
PubChem CID79276691
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N2O3/c1-2-9-16(11-14(18)19)10-13(17)15-12-7-5-3-4-6-8-12/h2,12H,1,3-11H2,(H,15,17)(H,18,19)
InChIKeyMFDPAIRUYGYDNP-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.40
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

2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277104
N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276331
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
CID 113237467
3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
CID 82326965
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78925035
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid (CID 79276691) is 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The InChIKey is MFDPAIRUYGYDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-9-16(11-14(18)19)10-13(17)15-12-7-5-3-4-6-8-12/h2,12H,1,3-11H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79276691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).