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

C10H15N3O6 — CID 166760821

IUPAC3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
SMILESC=CC(=O)NCC(=O)NCC(=O)NC(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)
InChIKeyPVGYXPRADISSLN-UHFFFAOYSA-N
MW273.25 g/mol
LogP-3.03
Rot. Bonds8

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

3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 166760821) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
PubChem CID166760821
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
SMILESC=CC(=O)NCC(=O)NCC(=O)NC(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)
InChIKeyPVGYXPRADISSLN-UHFFFAOYSA-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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Related Compounds

Glycylserine
CID 102466
Serine, glycyl-
CID 73086
Glycyl-D-serine
CID 1766440
Gly-Gly-Ser
CID 25057939
(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid
CID 171342285
Gly-ser
CID 1550256
N-acryloyl serine methyl ester
CID 10844941
N-acryloyl-l-threonine
CID 22870977
N-Acryloyl-L-serine
CID 28173751
Glycyl-d1-serin
CID 129628605
(2R)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoate
CID 1766439
Glycyl-DL-serine Hydrate
CID 70700077

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid (CID 166760821) is 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid is C=CC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is PVGYXPRADISSLN-UHFFFAOYSA-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).
What are the key properties of 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid?
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 3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 166760821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).