(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane

C12H24N2O7 — CID 163711224

IUPAC(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane
SMILESC.CC(=O)[C@H](N)CCC(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO3.C5H9NO4.CH4/c1-4(8)5(7)2-3-6(9)10;6-3(5(9)10)1-2-4(7)8;/h5H,2-3,7H2,1H3,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);1H4/t5-;3-;/m10./s1
InChIKeyKJJQSIYDFFKCCQ-JJHGZLQRSA-N
MW308.33 g/mol
LogP-0.33
Rot. Bonds8

About (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane

(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane (PubChem CID 163711224) has the molecular formula C12H24N2O7 and a molecular weight of 308.33 g/mol. Its IUPAC name is (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane.

Molecular Properties

Compound Name(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane
PubChem CID163711224
Molecular FormulaC12H24N2O7
Molecular Weight308.33 g/mol
Exact Mass308.16
IUPAC Name(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane
SMILESC.CC(=O)[C@H](N)CCC(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO3.C5H9NO4.CH4/c1-4(8)5(7)2-3-6(9)10;6-3(5(9)10)1-2-4(7)8;/h5H,2-3,7H2,1H3,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);1H4/t5-;3-;/m10./s1
InChIKeyKJJQSIYDFFKCCQ-JJHGZLQRSA-N
XLogP-0.33
TPSA181.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-aminopentanedioic acid;ethene
CID 134284547

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane?
The IUPAC name of (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane (CID 163711224) is (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane.
What is the SMILES notation for (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane?
The canonical SMILES for (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane is C.CC(=O)[C@H](N)CCC(=O)O.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane?
The InChIKey is KJJQSIYDFFKCCQ-JJHGZLQRSA-N. The full InChI is InChI=1S/C6H11NO3.C5H9NO4.CH4/c1-4(8)5(7)2-3-6(9)10;6-3(5(9)10)1-2-4(7)8;/h5H,2-3,7H2,1H3,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);1H4/t5-;3-;/m10./s1.
What are the key properties of (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane?
(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane has a molecular weight of 308.33 g/mol, XLogP of -0.33, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane is sourced from PubChem (CID 163711224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).