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

C8H14N2O5 — CID 87464417

IUPAC(2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid
SMILESC=CC(=O)NCC(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C5H7NO3.C3H7NO2/c1-2-4(7)6-3-5(8)9;1-2(4)3(5)6/h2H,1,3H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyXDVIMSJYURFNHW-WNQIDUERSA-N
MW218.21 g/mol
LogP-1.21
Rot. Bonds4

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

(2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid (PubChem CID 87464417) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid
PubChem CID87464417
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid
SMILESC=CC(=O)NCC(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C5H7NO3.C3H7NO2/c1-2-4(7)6-3-5(8)9;1-2(4)3(5)6/h2H,1,3H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyXDVIMSJYURFNHW-WNQIDUERSA-N
XLogP-1.21
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Antibiotic A 19009
CID 6439822
N-acryloyl-L-alanine
CID 10419296
n-Acryloylalanine
CID 240000
(E)-4-[[(1S)-1-carboxyethyl]amino]-4-oxobut-2-enoic acid
CID 12010747
L-Ala-3-[[(E)-4-Amino-1,4-dioxo-2-butenyl]amino]-L-Ala-OH
CID 91799061
N,N'-bis[(s)-1-methoxycarbonylethyl]fumaric diamide
CID 102252315
(2R)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoic acid
CID 163016980
N-Acryloylglycylglycine
CID 20493959
N-Methacryloylalanine
CID 22826844
N-Acryloyl-L-serine
CID 28173751
N-Acryloyl-L-valine
CID 36690100
N,N'-bisacryloylcystine
CID 88925483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid (CID 87464417) is (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid is C=CC(=O)NCC(=O)O.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid?
The InChIKey is XDVIMSJYURFNHW-WNQIDUERSA-N. The full InChI is InChI=1S/C5H7NO3.C3H7NO2/c1-2-4(7)6-3-5(8)9;1-2(4)3(5)6/h2H,1,3H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid?
(2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid has a molecular weight of 218.21 g/mol, XLogP of -1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;2-(prop-2-enoylamino)acetic acid is sourced from PubChem (CID 87464417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).