3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid

C14H22N2O3 — CID 43466450

IUPAC3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCNCC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C14H22N2O3/c17-13(10-15-9-8-14(18)19)16(12-6-7-12)11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2,(H,18,19)
InChIKeyGSOSHLPGPUEBAK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds7

About 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid

3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466450) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466450
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCNCC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C14H22N2O3/c17-13(10-15-9-8-14(18)19)16(12-6-7-12)11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2,(H,18,19)
InChIKeyGSOSHLPGPUEBAK-UHFFFAOYSA-N
XLogP1.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631867
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61013485
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 61370838
2-amino-3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385370
2-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238312
3-[[2-(cyclohexen-1-yl)acetyl]-cyclopropylamino]propanoic acid
CID 63564407
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060777
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 35723963
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95351614
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
CID 43237174
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 18193628

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466450) is 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid is O=C(O)CCNCC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is GSOSHLPGPUEBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(10-15-9-8-14(18)19)16(12-6-7-12)11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2,(H,18,19).
What are the key properties of 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).