4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid

C12H22N2O4 — CID 83032758

IUPAC4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
SMILESCC1(C)CC(NC(=O)C(N)CCC(=O)O)CCO1
InChIInChI=1S/C12H22N2O4/c1-12(2)7-8(5-6-18-12)14-11(17)9(13)3-4-10(15)16/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQHDLGKVMEHWCTL-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.25
Rot. Bonds5

About 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid

4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid (PubChem CID 83032758) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
PubChem CID83032758
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
SMILESCC1(C)CC(NC(=O)C(N)CCC(=O)O)CCO1
InChIInChI=1S/C12H22N2O4/c1-12(2)7-8(5-6-18-12)14-11(17)9(13)3-4-10(15)16/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQHDLGKVMEHWCTL-UHFFFAOYSA-N
XLogP0.25
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid (CID 83032758) is 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid is CC1(C)CC(NC(=O)C(N)CCC(=O)O)CCO1.
What is the InChIKey of 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is QHDLGKVMEHWCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2)7-8(5-6-18-12)14-11(17)9(13)3-4-10(15)16/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid?
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 83032758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).