5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid

C8H16N4O3 — CID 162519150

IUPAC5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NC(CCCNNN)C(=O)O
InChIInChI=1S/C8H16N4O3/c1-2-7(13)11-6(8(14)15)4-3-5-10-12-9/h2,6,10,12H,1,3-5,9H2,(H,11,13)(H,14,15)
InChIKeyMPGUTFTWMVSTTB-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.51
Rot. Bonds8

About 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid

5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid (PubChem CID 162519150) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid
PubChem CID162519150
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Name5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NC(CCCNNN)C(=O)O
InChIInChI=1S/C8H16N4O3/c1-2-7(13)11-6(8(14)15)4-3-5-10-12-9/h2,6,10,12H,1,3-5,9H2,(H,11,13)(H,14,15)
InChIKeyMPGUTFTWMVSTTB-UHFFFAOYSA-N
XLogP-1.51
TPSA116.48 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acryloyl-L-arginine
CID 18395514
5-(Diaminomethylideneamino)-2-(prop-2-enoylamino)pentanoic acid
CID 23290684
(2S)-2,5-bis(prop-2-enoylamino)pentanoic acid
CID 53734428
(2S)-5-amino-2-(but-2-enoylamino)pentanoic acid
CID 53995790
(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid
CID 54422723
2-[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid
CID 70885029
2-(Methylamino)-5-(prop-2-enoylamino)pentanoic acid
CID 132010041
(2S)-2-(methylamino)-5-(prop-2-enoylamino)pentanoic acid
CID 132010042
(2S)-2-[2-[(1S)-1-carboxy-5-(prop-2-enoylamino)pentyl]hydrazinyl]-6-(prop-2-enoylamino)hexanoic acid
CID 134465347
(2S)-5-amino-2-(prop-2-enoylamino)pentanoic acid
CID 139991475
(2S)-5-amino-2-[[(E)-but-2-enoyl]amino]pentanoic acid
CID 140350433
1-(Prop-2-enoylamino)pyrrolidine-2-carboxylic acid
CID 152635743

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid?
The IUPAC name of 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid (CID 162519150) is 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid?
The canonical SMILES for 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid is C=CC(=O)NC(CCCNNN)C(=O)O.
What is the InChIKey of 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid?
The InChIKey is MPGUTFTWMVSTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-2-7(13)11-6(8(14)15)4-3-5-10-12-9/h2,6,10,12H,1,3-5,9H2,(H,11,13)(H,14,15).
What are the key properties of 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid?
5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.51, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 162519150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).