3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid

C14H28N2O5 — CID 146665807

IUPAC3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid
SMILESCC(COC(C)(C)CC(=O)O)NC(=O)CC(C)(C)OCN
InChIInChI=1S/C14H28N2O5/c1-10(8-20-14(4,5)7-12(18)19)16-11(17)6-13(2,3)21-9-15/h10H,6-9,15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyKRNFYMQXCHDRKX-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.86
Rot. Bonds10

About 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid

3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid (PubChem CID 146665807) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid
PubChem CID146665807
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid
SMILESCC(COC(C)(C)CC(=O)O)NC(=O)CC(C)(C)OCN
InChIInChI=1S/C14H28N2O5/c1-10(8-20-14(4,5)7-12(18)19)16-11(17)6-13(2,3)21-9-15/h10H,6-9,15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyKRNFYMQXCHDRKX-UHFFFAOYSA-N
XLogP0.86
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-amino-2-methylpropan-2-yl)oxy-N-pentan-2-ylacetamide
CID 65053735
(2S)-2-[[3-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-3-methylbutanoyl]amino]propanoic acid
CID 142467889
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
(2S,3S)-2-(3,3-dimethylbutanoylamino)-3-methylpentanoic acid
CID 30077393
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
CID 146452761
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-methoxy-3-methylbutanamide
CID 103022042
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021631
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933194

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid?
The IUPAC name of 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid (CID 146665807) is 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid.
What is the SMILES notation for 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid?
The canonical SMILES for 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid is CC(COC(C)(C)CC(=O)O)NC(=O)CC(C)(C)OCN.
What is the InChIKey of 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid?
The InChIKey is KRNFYMQXCHDRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-10(8-20-14(4,5)7-12(18)19)16-11(17)6-13(2,3)21-9-15/h10H,6-9,15H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid?
3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid has a molecular weight of 304.39 g/mol, XLogP of 0.86, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(aminomethoxy)-3-methylbutanoyl]amino]propoxy]-3-methylbutanoic acid is sourced from PubChem (CID 146665807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).