(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid

C8H18N2O4 — CID 18610663

IUPAC(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid
SMILESCC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C3H7NO2/c1-3(2)4(6)5(7)8;1-2(4)3(5)6/h3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)/t4-;2-/m00/s1
InChIKeySZWVILTUNOXATK-ZBRNBAAYSA-N
MW206.24 g/mol
LogP-0.53
Rot. Bonds3

About (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid

(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid (PubChem CID 18610663) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid
PubChem CID18610663
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid
SMILESCC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C3H7NO2/c1-3(2)4(6)5(7)8;1-2(4)3(5)6/h3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)/t4-;2-/m00/s1
InChIKeySZWVILTUNOXATK-ZBRNBAAYSA-N
XLogP-0.53
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid (CID 18610663) is (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid is CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid?
The InChIKey is SZWVILTUNOXATK-ZBRNBAAYSA-N. The full InChI is InChI=1S/C5H11NO2.C3H7NO2/c1-3(2)4(6)5(7)8;1-2(4)3(5)6/h3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)/t4-;2-/m00/s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid?
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid has a molecular weight of 206.24 g/mol, XLogP of -0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid is sourced from PubChem (CID 18610663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).