2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid

C12H24N2O5 — CID 81086320

IUPAC2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid
SMILESCCOCC(C)NC(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-4-19-8-9(2)13-12(17)14-10(11(15)16)6-5-7-18-3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyGKISRPLGCVJDAO-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.59
Rot. Bonds10

About 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid

2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid (PubChem CID 81086320) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid
PubChem CID81086320
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid
SMILESCCOCC(C)NC(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-4-19-8-9(2)13-12(17)14-10(11(15)16)6-5-7-18-3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyGKISRPLGCVJDAO-UHFFFAOYSA-N
XLogP0.59
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 81085553
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid
CID 107828090
5-methoxy-2-(pentan-2-ylamino)pentanoic acid
CID 107886535
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
2-[(2-amino-3-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 81101732
5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 81086247

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid (CID 81086320) is 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid is CCOCC(C)NC(=O)NC(CCCOC)C(=O)O.
What is the InChIKey of 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid?
The InChIKey is GKISRPLGCVJDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-4-19-8-9(2)13-12(17)14-10(11(15)16)6-5-7-18-3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid?
2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.59, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 81086320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).