2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C14H26N2O5 — CID 134573864

IUPAC2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SMILESCC(C)CCCOC(=O)C(C)NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-9(2)5-4-8-21-14(20)10(3)16-12(17)7-6-11(15)13(18)19/h9-11H,4-8,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySTEFJHQVMDPGGU-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.66
Rot. Bonds10

About 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 134573864) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
PubChem CID134573864
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SMILESCC(C)CCCOC(=O)C(C)NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-9(2)5-4-8-21-14(20)10(3)16-12(17)7-6-11(15)13(18)19/h9-11H,4-8,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySTEFJHQVMDPGGU-UHFFFAOYSA-N
XLogP0.66
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CID 134573864) is 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is CC(C)CCCOC(=O)C(C)NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is STEFJHQVMDPGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-9(2)5-4-8-21-14(20)10(3)16-12(17)7-6-11(15)13(18)19/h9-11H,4-8,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.66, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 134573864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).