2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid

C13H22N2O3 — CID 79263851

IUPAC2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H22N2O3/c1-2-8-15(10-12(17)18)11(16)9-13(14)6-4-3-5-7-13/h2H,1,3-10,14H2,(H,17,18)
InChIKeyYWTZHBQARROBPI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.14
Rot. Bonds6

About 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid

2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid (PubChem CID 79263851) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid
PubChem CID79263851
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H22N2O3/c1-2-8-15(10-12(17)18)11(16)9-13(14)6-4-3-5-7-13/h2H,1,3-10,14H2,(H,17,18)
InChIKeyYWTZHBQARROBPI-UHFFFAOYSA-N
XLogP1.14
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.14
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-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
CID 79261884
2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid
CID 79262373
1-(1-aminocyclopentyl)pent-4-en-2-one
CID 116578589
2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid
CID 79854894
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
2-(1-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 64685073
2-(1-aminocyclopentyl)-N-ethyl-N-propylacetamide
CID 64684374
sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836
1-amino-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 65464830
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-(1-aminocyclobutyl)-N,N-bis(cyanomethyl)acetamide
CID 79852041

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid (CID 79263851) is 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid?
The InChIKey is YWTZHBQARROBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-8-15(10-12(17)18)11(16)9-13(14)6-4-3-5-7-13/h2H,1,3-10,14H2,(H,17,18).
What are the key properties of 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid?
2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79263851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).