acetic acid;(2S)-2-aminopropanoic acid

C5H11NO4 — CID 87950802

IUPACacetic acid;(2S)-2-aminopropanoic acid
SMILESCC(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C3H7NO2.C2H4O2/c1-2(4)3(5)6;1-2(3)4/h2H,4H2,1H3,(H,5,6);1H3,(H,3,4)/t2-;/m0./s1
InChIKeyHUMBVSRIRFYUFU-DKWTVANSSA-N
MW149.15 g/mol
LogP-0.49
Rot. Bonds1

About acetic acid;(2S)-2-aminopropanoic acid

acetic acid;(2S)-2-aminopropanoic acid (PubChem CID 87950802) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is acetic acid;(2S)-2-aminopropanoic acid.

Molecular Properties

Compound Nameacetic acid;(2S)-2-aminopropanoic acid
PubChem CID87950802
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Nameacetic acid;(2S)-2-aminopropanoic acid
SMILESCC(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C3H7NO2.C2H4O2/c1-2(4)3(5)6;1-2(3)4/h2H,4H2,1H3,(H,5,6);1H3,(H,3,4)/t2-;/m0./s1
InChIKeyHUMBVSRIRFYUFU-DKWTVANSSA-N
XLogP-0.49
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;2-aminopropanoic acid;azane
CID 175391326
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
potassium;2-aminopropanoic acid;hydride
CID 173162937
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-2-aminopropanoic acid?
The IUPAC name of acetic acid;(2S)-2-aminopropanoic acid (CID 87950802) is acetic acid;(2S)-2-aminopropanoic acid.
What is the SMILES notation for acetic acid;(2S)-2-aminopropanoic acid?
The canonical SMILES for acetic acid;(2S)-2-aminopropanoic acid is CC(=O)O.C[C@H](N)C(=O)O.
What is the InChIKey of acetic acid;(2S)-2-aminopropanoic acid?
The InChIKey is HUMBVSRIRFYUFU-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2.C2H4O2/c1-2(4)3(5)6;1-2(3)4/h2H,4H2,1H3,(H,5,6);1H3,(H,3,4)/t2-;/m0./s1.
What are the key properties of acetic acid;(2S)-2-aminopropanoic acid?
acetic acid;(2S)-2-aminopropanoic acid has a molecular weight of 149.15 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-2-aminopropanoic acid is sourced from PubChem (CID 87950802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).