3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid

C11H22N2O4 — CID 106109020

IUPAC3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CC(N)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)8(12)5-9(14)13-6-7(17-4)10(15)16/h7-8H,5-6,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyLCRSTTCIDAHGRM-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.03
Rot. Bonds6

About 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid

3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid (PubChem CID 106109020) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
PubChem CID106109020
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CC(N)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)8(12)5-9(14)13-6-7(17-4)10(15)16/h7-8H,5-6,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyLCRSTTCIDAHGRM-UHFFFAOYSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
CID 106108926
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
CID 106108860
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109985
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
CID 114167246
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methoxypropanoic acid
CID 106108885

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid (CID 106109020) is 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)CC(N)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid?
The InChIKey is LCRSTTCIDAHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)8(12)5-9(14)13-6-7(17-4)10(15)16/h7-8H,5-6,12H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid?
3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).