3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride

C10H21ClN2O3 — CID 86811663

IUPAC3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
SMILESCC(C)(N)CC(=O)NC(C)(C)CC(=O)O.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-9(2,11)5-7(13)12-10(3,4)6-8(14)15;/h5-6,11H2,1-4H3,(H,12,13)(H,14,15);1H
InChIKeyWFGQFRDURJLYRO-UHFFFAOYSA-N
MW252.74 g/mol
LogP0.91
Rot. Bonds5

About 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride

3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride (PubChem CID 86811663) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
PubChem CID86811663
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Name3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
SMILESCC(C)(N)CC(=O)NC(C)(C)CC(=O)O.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-9(2,11)5-7(13)12-10(3,4)6-8(14)15;/h5-6,11H2,1-4H3,(H,12,13)(H,14,15);1H
InChIKeyWFGQFRDURJLYRO-UHFFFAOYSA-N
XLogP0.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65265747
3-(4-aminopentanoylamino)-3-methylbutanoic acid
CID 64683706
3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
CID 64677680
3-[[2-(2-aminoethoxy)acetyl]amino]-3-methylbutanoic acid
CID 79478702
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbutanoic acid
CID 64670863
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
CID 114227468
6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid
CID 64677557
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid
CID 64685300
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
CID 64684702

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride?
The IUPAC name of 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride (CID 86811663) is 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride is CC(C)(N)CC(=O)NC(C)(C)CC(=O)O.Cl.
What is the InChIKey of 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride?
The InChIKey is WFGQFRDURJLYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.ClH/c1-9(2,11)5-7(13)12-10(3,4)6-8(14)15;/h5-6,11H2,1-4H3,(H,12,13)(H,14,15);1H.
What are the key properties of 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride?
3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 86811663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).