5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid

C8H15N2O6P — CID 87478022

IUPAC5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid
SMILESC=CC(NC(CCC(N)=O)C(=O)O)P(=O)(O)O
InChIInChI=1S/C8H15N2O6P/c1-2-7(17(14,15)16)10-5(8(12)13)3-4-6(9)11/h2,5,7,10H,1,3-4H2,(H2,9,11)(H,12,13)(H2,14,15,16)
InChIKeyNXQJQYWOGTUBIE-UHFFFAOYSA-N
MW266.19 g/mol
LogP-1.02
Rot. Bonds8

About 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid

5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid (PubChem CID 87478022) has the molecular formula C8H15N2O6P and a molecular weight of 266.19 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid
PubChem CID87478022
Molecular FormulaC8H15N2O6P
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid
SMILESC=CC(NC(CCC(N)=O)C(=O)O)P(=O)(O)O
InChIInChI=1S/C8H15N2O6P/c1-2-7(17(14,15)16)10-5(8(12)13)3-4-6(9)11/h2,5,7,10H,1,3-4H2,(H2,9,11)(H,12,13)(H2,14,15,16)
InChIKeyNXQJQYWOGTUBIE-UHFFFAOYSA-N
XLogP-1.02
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-bis(1-phosphonoprop-2-enylamino)hexanoic acid
CID 87493317
(2S)-3-(4-hydroxyphenyl)-2-(1-phosphonoprop-2-enylamino)propanoic acid
CID 68504747
(2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid
CID 87479265
5-amino-2-(but-3-enoylamino)-5-oxopentanoic acid
CID 62685356
5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-5-oxopentanoic acid
CID 87490662
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid
CID 23728613
5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 174327511
(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 173018934
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid (CID 87478022) is 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid is C=CC(NC(CCC(N)=O)C(=O)O)P(=O)(O)O.
What is the InChIKey of 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid?
The InChIKey is NXQJQYWOGTUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O6P/c1-2-7(17(14,15)16)10-5(8(12)13)3-4-6(9)11/h2,5,7,10H,1,3-4H2,(H2,9,11)(H,12,13)(H2,14,15,16).
What are the key properties of 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid?
5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid has a molecular weight of 266.19 g/mol, XLogP of -1.02, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid is sourced from PubChem (CID 87478022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).