5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid

C15H30N2O4 — CID 81086247

IUPAC5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
SMILESCOCCCC(NC(=O)NC(C)(C)CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O4/c1-14(2,3)10-15(4,5)17-13(20)16-11(12(18)19)8-7-9-21-6/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyXHQAZASLCJHYEB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds8

About 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid

5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 81086247) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
PubChem CID81086247
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
SMILESCOCCCC(NC(=O)NC(C)(C)CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O4/c1-14(2,3)10-15(4,5)17-13(20)16-11(12(18)19)8-7-9-21-6/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyXHQAZASLCJHYEB-UHFFFAOYSA-N
XLogP2.38
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
CID 113470663
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid
CID 106279260
2-amino-5-methoxy-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 81082635
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
(2S)-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 78974776
5-methoxy-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 81076582
5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid
CID 106295178
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
CID 104862179
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxypentanoic acid
CID 115432700
5-methoxy-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 81085553

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid (CID 81086247) is 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid is COCCCC(NC(=O)NC(C)(C)CC(C)(C)C)C(=O)O.
What is the InChIKey of 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is XHQAZASLCJHYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-14(2,3)10-15(4,5)17-13(20)16-11(12(18)19)8-7-9-21-6/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid?
5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 81086247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).