2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid

C12H22N2O3 — CID 66567767

IUPAC2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
SMILESCCN(C(C)=O)C1CCC(NCC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-14(9(2)15)11-6-4-10(5-7-11)13-8-12(16)17/h10-11,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyDZTLARZLGOKCQZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds5

About 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid

2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid (PubChem CID 66567767) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
PubChem CID66567767
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
SMILESCCN(C(C)=O)C1CCC(NCC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-14(9(2)15)11-6-4-10(5-7-11)13-8-12(16)17/h10-11,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyDZTLARZLGOKCQZ-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)acetic acid
CID 21197388
2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 96555299
2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid
CID 66566460
acetic acid;2-[(4-aminocyclohexyl)amino]acetic acid;cyclohexane-1,4-diamine
CID 67721530
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
N-cyclopropyl-3-(cyclopropylamino)-N-ethylpropanamide
CID 60841219
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide
CID 54957432
2-[(1-ethylpiperidin-4-yl)amino]acetic acid
CID 43135208
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
2-(thian-4-ylamino)acetic acid
CID 43511382

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid (CID 66567767) is 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid is CCN(C(C)=O)C1CCC(NCC(=O)O)CC1.
What is the InChIKey of 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The InChIKey is DZTLARZLGOKCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-14(9(2)15)11-6-4-10(5-7-11)13-8-12(16)17/h10-11,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid?
2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 66567767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).