4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid

C12H22N2O4 — CID 114285703

IUPAC4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC(=O)C1(N)CCOCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-11(2,10(16)17)3-6-14-9(15)12(13)4-7-18-8-5-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGTLTUKGVPCYYNL-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.11
Rot. Bonds5

About 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid

4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid (PubChem CID 114285703) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
PubChem CID114285703
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC(=O)C1(N)CCOCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-11(2,10(16)17)3-6-14-9(15)12(13)4-7-18-8-5-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGTLTUKGVPCYYNL-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427935
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322
4-amino-N-but-3-ynyloxane-4-carboxamide
CID 115294969
4-amino-N-hex-5-ynyloxane-4-carboxamide
CID 103950464
4-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294524
1-amino-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide;hydrochloride
CID 119279539

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid (CID 114285703) is 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid is CC(C)(CCNC(=O)C1(N)CCOCC1)C(=O)O.
What is the InChIKey of 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid?
The InChIKey is GTLTUKGVPCYYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,10(16)17)3-6-14-9(15)12(13)4-7-18-8-5-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid?
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 114285703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).