(2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid

C10H15N3O6 — CID 156867870

IUPAC(2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
SMILESC=CC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H15N3O6/c1-2-7(15)11-3-8(16)12-4-9(17)13-6(5-14)10(18)19/h2,6,14H,1,3-5H2,(H,11,15)(H,12,16)(H,13,17)(H,18,19)/t6-/m0/s1
InChIKeyPVGYXPRADISSLN-LURJTMIESA-N
MW273.25 g/mol
LogP-3.03
Rot. Bonds8

About (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 156867870) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
PubChem CID156867870
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
SMILESC=CC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H15N3O6/c1-2-7(15)11-3-8(16)12-4-9(17)13-6(5-14)10(18)19/h2,6,14H,1,3-5H2,(H,11,15)(H,12,16)(H,13,17)(H,18,19)/t6-/m0/s1
InChIKeyPVGYXPRADISSLN-LURJTMIESA-N
XLogP-3.03
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-3.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid (CID 156867870) is (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid is C=CC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is PVGYXPRADISSLN-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O6/c1-2-7(15)11-3-8(16)12-4-9(17)13-6(5-14)10(18)19/h2,6,14H,1,3-5H2,(H,11,15)(H,12,16)(H,13,17)(H,18,19)/t6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 273.25 g/mol, XLogP of -3.03, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 156867870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).