acetic acid;(2R)-2-aminobutanoic acid

C6H13NO4 — CID 87105922

IUPACacetic acid;(2R)-2-aminobutanoic acid
SMILESCC(=O)O.CC[C@@H](N)C(=O)O
InChIInChI=1S/C4H9NO2.C2H4O2/c1-2-3(5)4(6)7;1-2(3)4/h3H,2,5H2,1H3,(H,6,7);1H3,(H,3,4)/t3-;/m1./s1
InChIKeyNOCRJZLAQVDJMD-AENDTGMFSA-N
MW163.17 g/mol
LogP-0.10
Rot. Bonds2

About acetic acid;(2R)-2-aminobutanoic acid

acetic acid;(2R)-2-aminobutanoic acid (PubChem CID 87105922) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is acetic acid;(2R)-2-aminobutanoic acid.

Molecular Properties

Compound Nameacetic acid;(2R)-2-aminobutanoic acid
PubChem CID87105922
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Nameacetic acid;(2R)-2-aminobutanoic acid
SMILESCC(=O)O.CC[C@@H](N)C(=O)O
InChIInChI=1S/C4H9NO2.C2H4O2/c1-2-3(5)4(6)7;1-2(3)4/h3H,2,5H2,1H3,(H,6,7);1H3,(H,3,4)/t3-;/m1./s1
InChIKeyNOCRJZLAQVDJMD-AENDTGMFSA-N
XLogP-0.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminobutanoic acid;ethane
CID 90764297
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;sulfane
CID 162128083
2-aminobutanoic acid;2-methylprop-2-enoic acid
CID 161129910
2-aminobutanoic acid;butanediamide
CID 87949418
(2S)-2-aminobutanoic acid;2,2,2-trifluoroacetaldehyde
CID 91416142
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
acetic acid;2,2-diaminoacetic acid
CID 129094898
3-aminopentan-2-one;methane;pentan-3-imine
CID 162124306
3-amino-2-methylidenepentanoic acid
CID 23312012

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R)-2-aminobutanoic acid?
The IUPAC name of acetic acid;(2R)-2-aminobutanoic acid (CID 87105922) is acetic acid;(2R)-2-aminobutanoic acid.
What is the SMILES notation for acetic acid;(2R)-2-aminobutanoic acid?
The canonical SMILES for acetic acid;(2R)-2-aminobutanoic acid is CC(=O)O.CC[C@@H](N)C(=O)O.
What is the InChIKey of acetic acid;(2R)-2-aminobutanoic acid?
The InChIKey is NOCRJZLAQVDJMD-AENDTGMFSA-N. The full InChI is InChI=1S/C4H9NO2.C2H4O2/c1-2-3(5)4(6)7;1-2(3)4/h3H,2,5H2,1H3,(H,6,7);1H3,(H,3,4)/t3-;/m1./s1.
What are the key properties of acetic acid;(2R)-2-aminobutanoic acid?
acetic acid;(2R)-2-aminobutanoic acid has a molecular weight of 163.17 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2R)-2-aminobutanoic acid is sourced from PubChem (CID 87105922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).