acetyl (2R)-2-aminopropanoate

C5H9NO3 — CID 11829476

IUPACacetyl (2R)-2-aminopropanoate
SMILESCC(=O)OC(=O)[C@@H](C)N
InChIInChI=1S/C5H9NO3/c1-3(6)5(8)9-4(2)7/h3H,6H2,1-2H3/t3-/m1/s1
InChIKeyQUOVLHDHXBFXMV-GSVOUGTGSA-N
MW131.13 g/mol
LogP-0.58
Rot. Bonds1

About acetyl (2R)-2-aminopropanoate

acetyl (2R)-2-aminopropanoate (PubChem CID 11829476) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is acetyl (2R)-2-aminopropanoate.

Molecular Properties

Compound Nameacetyl (2R)-2-aminopropanoate
PubChem CID11829476
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameacetyl (2R)-2-aminopropanoate
SMILESCC(=O)OC(=O)[C@@H](C)N
InChIInChI=1S/C5H9NO3/c1-3(6)5(8)9-4(2)7/h3H,6H2,1-2H3/t3-/m1/s1
InChIKeyQUOVLHDHXBFXMV-GSVOUGTGSA-N
XLogP-0.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
carbamoyl (2R)-2-aminopropanoate
CID 139238224
bis(2-aminopropanoyl) butanedioate
CID 90109701
2-bromopropanoyl (2S)-2-aminopropanoate
CID 87794605
bis(2-aminopropanoyl) (Z)-but-2-enedioate
CID 90107936
acetyl (2S)-2-aminopropanoate;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate;hydrochloride
CID 87549986
methyl 2-aminopropanoate
CID 159707893
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
acetyl 2-acetyl-3-oxobutanoate;yttrium
CID 174647881
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
acetyl (2R)-2-amino-3-sulfanylpropanoate;azane
CID 87963097
[(2S)-2-aminopropanoyl] (2S,3S)-2-amino-3-methylpentanoate
CID 57005040

Frequently Asked Questions

What is the IUPAC name of acetyl (2R)-2-aminopropanoate?
The IUPAC name of acetyl (2R)-2-aminopropanoate (CID 11829476) is acetyl (2R)-2-aminopropanoate.
What is the SMILES notation for acetyl (2R)-2-aminopropanoate?
The canonical SMILES for acetyl (2R)-2-aminopropanoate is CC(=O)OC(=O)[C@@H](C)N.
What is the InChIKey of acetyl (2R)-2-aminopropanoate?
The InChIKey is QUOVLHDHXBFXMV-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3(6)5(8)9-4(2)7/h3H,6H2,1-2H3/t3-/m1/s1.
What are the key properties of acetyl (2R)-2-aminopropanoate?
acetyl (2R)-2-aminopropanoate has a molecular weight of 131.13 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl (2R)-2-aminopropanoate is sourced from PubChem (CID 11829476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).