5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid

C14H28N2O5 — CID 104686485

IUPAC5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCOCCN(C(=O)NCCCC(C)C(=O)O)C(C)COC
InChIInChI=1S/C14H28N2O5/c1-11(13(17)18)6-5-7-15-14(19)16(8-9-20-3)12(2)10-21-4/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyPGEKKRDYKOTALM-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.18
Rot. Bonds11

About 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid

5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid (PubChem CID 104686485) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
PubChem CID104686485
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCOCCN(C(=O)NCCCC(C)C(=O)O)C(C)COC
InChIInChI=1S/C14H28N2O5/c1-11(13(17)18)6-5-7-15-14(19)16(8-9-20-3)12(2)10-21-4/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyPGEKKRDYKOTALM-UHFFFAOYSA-N
XLogP1.18
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
5-[[butan-2-yl(ethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686221
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668669
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477
2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
CID 104686265
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221138
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289568
3-[ethyl-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852306

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid (CID 104686485) is 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid is COCCN(C(=O)NCCCC(C)C(=O)O)C(C)COC.
What is the InChIKey of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is PGEKKRDYKOTALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-11(13(17)18)6-5-7-15-14(19)16(8-9-20-3)12(2)10-21-4/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid?
5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104686485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).