2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid

C12H24N2O6 — CID 81085623

IUPAC2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(C)CC(O)COC)C(=O)O
InChIInChI=1S/C12H24N2O6/c1-14(7-9(15)8-20-3)12(18)13-10(11(16)17)5-4-6-19-2/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeySRYUZFVAQNPXFA-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.49
Rot. Bonds10

About 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid

2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid (PubChem CID 81085623) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
PubChem CID81085623
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(C)CC(O)COC)C(=O)O
InChIInChI=1S/C12H24N2O6/c1-14(7-9(15)8-20-3)12(18)13-10(11(16)17)5-4-6-19-2/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeySRYUZFVAQNPXFA-UHFFFAOYSA-N
XLogP-0.49
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917206
2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 107481824
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
5-methoxy-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]pentanoic acid
CID 81085401
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid (CID 81085623) is 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)N(C)CC(O)COC)C(=O)O.
What is the InChIKey of 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid?
The InChIKey is SRYUZFVAQNPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-14(7-9(15)8-20-3)12(18)13-10(11(16)17)5-4-6-19-2/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid?
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid has a molecular weight of 292.33 g/mol, XLogP of -0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81085623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).