4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid

C13H26N2O4 — CID 5023520

IUPAC4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)NCCCOC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-9(2)8-11(12(16)17)15-13(18)14-6-5-7-19-10(3)4/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyPYDMIRBBKQEBFL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.60
Rot. Bonds9

About 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid

4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid (PubChem CID 5023520) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid
PubChem CID5023520
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)NCCCOC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-9(2)8-11(12(16)17)15-13(18)14-6-5-7-19-10(3)4/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyPYDMIRBBKQEBFL-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.60
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

(2S)-4-methyl-2-(4-propan-2-yloxybutylcarbamoylamino)pentanoic acid
CID 106004588
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
(2S)-2-(3-aminopropylcarbamoylamino)-4-methylpentanoic acid
CID 62273310
4-methyl-2-(5-methylhexylcarbamoylamino)pentanoic acid
CID 115326694
4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004415
4-amino-4-oxo-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004390
4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid
CID 103995873
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
2-(3-ethylsulfonylpropylcarbamoylamino)-4-methylpentanoic acid
CID 65093772
4-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)pentanoic acid
CID 115521502
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183537

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid (CID 5023520) is 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid is CC(C)CC(NC(=O)NCCCOC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid?
The InChIKey is PYDMIRBBKQEBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-9(2)8-11(12(16)17)15-13(18)14-6-5-7-19-10(3)4/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid?
4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 5023520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).