(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid

C11H22N2O4 — CID 175796269

IUPAC(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid
SMILESCC(C)C(NN(C)[C@H](C(=O)O)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-6(2)8(10(14)15)12-13(5)9(7(3)4)11(16)17/h6-9,12H,1-5H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyIPJGYQZRLVQLFD-GKAPJAKFSA-N
MW246.31 g/mol
LogP0.64
Rot. Bonds7

About (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid

(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid (PubChem CID 175796269) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid
PubChem CID175796269
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid
SMILESCC(C)C(NN(C)[C@H](C(=O)O)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-6(2)8(10(14)15)12-13(5)9(7(3)4)11(16)17/h6-9,12H,1-5H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyIPJGYQZRLVQLFD-GKAPJAKFSA-N
XLogP0.64
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid
CID 103264016
3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid
CID 116914027
2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid
CID 103246578
2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
CID 103265266
(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
CID 103264847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid (CID 175796269) is (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid is CC(C)C(NN(C)[C@H](C(=O)O)C(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid?
The InChIKey is IPJGYQZRLVQLFD-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-6(2)8(10(14)15)12-13(5)9(7(3)4)11(16)17/h6-9,12H,1-5H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid?
(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid is sourced from PubChem (CID 175796269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).