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

C16H26N2O3 — CID 43631867

IUPAC2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)N(C1=CCCCC1)C1CC1)C(=O)O
InChIInChI=1S/C16H26N2O3/c1-2-6-14(16(20)21)17-11-15(19)18(13-9-10-13)12-7-4-3-5-8-12/h7,13-14,17H,2-6,8-11H2,1H3,(H,20,21)
InChIKeyQDCKQDLKQHQCCD-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.28
Rot. Bonds8

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

2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631867) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid
PubChem CID43631867
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)N(C1=CCCCC1)C1CC1)C(=O)O
InChIInChI=1S/C16H26N2O3/c1-2-6-14(16(20)21)17-11-15(19)18(13-9-10-13)12-7-4-3-5-8-12/h7,13-14,17H,2-6,8-11H2,1H3,(H,20,21)
InChIKeyQDCKQDLKQHQCCD-UHFFFAOYSA-N
XLogP2.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631790
3-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466450
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 61489470
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61013485
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63874630
ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 51110425
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-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide
CID 8791474
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
CID 43237174
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 8558963
2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 115313060
2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631787

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid (CID 43631867) is 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)N(C1=CCCCC1)C1CC1)C(=O)O.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is QDCKQDLKQHQCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-6-14(16(20)21)17-11-15(19)18(13-9-10-13)12-7-4-3-5-8-12/h7,13-14,17H,2-6,8-11H2,1H3,(H,20,21).
What are the key properties of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid?
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 294.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).