4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 79525677

IUPAC4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NCC1CCC(C(=O)O)CC1)C1CCCO1
InChIInChI=1S/C15H26N2O4/c1-10(13-3-2-8-21-13)17-15(20)16-9-11-4-6-12(7-5-11)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCDYIGDQAGJAIPC-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.74
Rot. Bonds5

About 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid

4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525677) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525677
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NCC1CCC(C(=O)O)CC1)C1CCCO1
InChIInChI=1S/C15H26N2O4/c1-10(13-3-2-8-21-13)17-15(20)16-9-11-4-6-12(7-5-11)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCDYIGDQAGJAIPC-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 100848596
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
CID 95313447
4-[(4-methylsulfinylbutan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963958
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95762567
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94031387
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 79525677) is 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is CC(NC(=O)NCC1CCC(C(=O)O)CC1)C1CCCO1.
What is the InChIKey of 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CDYIGDQAGJAIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(13-3-2-8-21-13)17-15(20)16-9-11-4-6-12(7-5-11)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).