2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid

C12H24N2O5 — CID 81084788

IUPAC2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(CCO)C(C)C)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-9(2)14(6-7-15)12(18)13-10(11(16)17)5-4-8-19-3/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyOYKMPHZPKMTPEH-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.28
Rot. Bonds9

About 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid

2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid (PubChem CID 81084788) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
PubChem CID81084788
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(CCO)C(C)C)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-9(2)14(6-7-15)12(18)13-10(11(16)17)5-4-8-19-3/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyOYKMPHZPKMTPEH-UHFFFAOYSA-N
XLogP0.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.28
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

2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085055
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 107481824
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490
(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 82951704
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid (CID 81084788) is 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)N(CCO)C(C)C)C(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid?
The InChIKey is OYKMPHZPKMTPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-9(2)14(6-7-15)12(18)13-10(11(16)17)5-4-8-19-3/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid?
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81084788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).