2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid

C8H16N2O6 — CID 138543857

IUPAC2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
SMILESCC(=O)NC(C(=O)O)C(C)O.NCC(=O)O
InChIInChI=1S/C6H11NO4.C2H5NO2/c1-3(8)5(6(10)11)7-4(2)9;3-1-2(4)5/h3,5,8H,1-2H3,(H,7,9)(H,10,11);1,3H2,(H,4,5)
InChIKeyRGHXZUZIWOXNLB-UHFFFAOYSA-N
MW236.22 g/mol
LogP-2.01
Rot. Bonds4

About 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid

2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid (PubChem CID 138543857) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid.

Molecular Properties

Compound Name2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
PubChem CID138543857
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
SMILESCC(=O)NC(C(=O)O)C(C)O.NCC(=O)O
InChIInChI=1S/C6H11NO4.C2H5NO2/c1-3(8)5(6(10)11)7-4(2)9;3-1-2(4)5/h3,5,8H,1-2H3,(H,7,9)(H,10,11);1,3H2,(H,4,5)
InChIKeyRGHXZUZIWOXNLB-UHFFFAOYSA-N
XLogP-2.01
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
2-acetamido-3-hydroxybutanoic acid;3-hydroxy-4-(trimethylazaniumyl)butanoate
CID 155352070
methyl (2R,3R)-2-acetamido-3-hydroxybutanoate
CID 92981459
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18491430
2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61403091
2-(2-acetamidoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61202444
(2S,3R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]-3-hydroxybutanoic acid
CID 104965263
2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
CID 82012633
(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 145455650
(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid
CID 175763034
(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid
CID 175946093
2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide
CID 155415665

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid?
The IUPAC name of 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid (CID 138543857) is 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid.
What is the SMILES notation for 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid?
The canonical SMILES for 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid is CC(=O)NC(C(=O)O)C(C)O.NCC(=O)O.
What is the InChIKey of 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid?
The InChIKey is RGHXZUZIWOXNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.C2H5NO2/c1-3(8)5(6(10)11)7-4(2)9;3-1-2(4)5/h3,5,8H,1-2H3,(H,7,9)(H,10,11);1,3H2,(H,4,5).
What are the key properties of 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid?
2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid has a molecular weight of 236.22 g/mol, XLogP of -2.01, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid is sourced from PubChem (CID 138543857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).