(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid

C11H22N2O6 — CID 87257204

IUPAC(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid
SMILESCCC(C)[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H13NO2.C5H9NO4/c1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10)/t4?,5-;3-/m00/s1
InChIKeyYWOLSBHQLNEVOL-HAAMJTKLSA-N
MW278.31 g/mol
LogP-0.29
Rot. Bonds7

About (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid

(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid (PubChem CID 87257204) has the molecular formula C11H22N2O6 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid
PubChem CID87257204
Molecular FormulaC11H22N2O6
Molecular Weight278.31 g/mol
Exact Mass278.15
IUPAC Name(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid
SMILESCCC(C)[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H13NO2.C5H9NO4/c1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10)/t4?,5-;3-/m00/s1
InChIKeyYWOLSBHQLNEVOL-HAAMJTKLSA-N
XLogP-0.29
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid
CID 174800417
bis(2-amino-3-methylpentanoic acid);2-amino-4-methylsulfanylbutanoic acid;bis(2-aminopentanedioic acid)
CID 175149891
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid
CID 156963467
2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid
CID 122610243
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-aminopentanedioic acid
CID 611

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid?
The IUPAC name of (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid (CID 87257204) is (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid.
What is the SMILES notation for (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid?
The canonical SMILES for (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid is CCC(C)[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid?
The InChIKey is YWOLSBHQLNEVOL-HAAMJTKLSA-N. The full InChI is InChI=1S/C6H13NO2.C5H9NO4/c1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10)/t4?,5-;3-/m00/s1.
What are the key properties of (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid?
(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid has a molecular weight of 278.31 g/mol, XLogP of -0.29, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid is sourced from PubChem (CID 87257204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).