5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid

C12H22N2O5 — CID 82848167

IUPAC5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
SMILESCCOC(=O)C(C)NC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-19-11(17)9(3)14-12(18)13-8(2)6-5-7-10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,18)
InChIKeyAIXHOKCRGJGWMA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds8

About 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid

5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid (PubChem CID 82848167) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
PubChem CID82848167
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
SMILESCCOC(=O)C(C)NC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-19-11(17)9(3)14-12(18)13-8(2)6-5-7-10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,18)
InChIKeyAIXHOKCRGJGWMA-UHFFFAOYSA-N
XLogP0.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid
CID 61499191
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 61499075
5-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848913
5-(4-methylhexan-2-ylcarbamoylamino)hexanoic acid
CID 82848355
5-(3-ethylpentan-2-ylcarbamoylamino)hexanoic acid
CID 82848350
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl 2-(5-aminohexanoylamino)propanoate
CID 82851561
5-(3-ethylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848932

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid?
The IUPAC name of 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid (CID 82848167) is 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid is CCOC(=O)C(C)NC(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid?
The InChIKey is AIXHOKCRGJGWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-19-11(17)9(3)14-12(18)13-8(2)6-5-7-10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,18).
What are the key properties of 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid?
5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 82848167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).