2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid

C8H18N6O3 — CID 54290737

IUPAC2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid
SMILESNC(CCNNNNC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H18N6O3/c9-6(7(15)16)3-4-10-13-14-12-8(17)11-5-1-2-5/h5-6,10,13-14H,1-4,9H2,(H,15,16)(H2,11,12,17)
InChIKeyRXIAPODIZNYYGW-UHFFFAOYSA-N
MW246.27 g/mol
LogP-2.24
Rot. Bonds8

About 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid

2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid (PubChem CID 54290737) has the molecular formula C8H18N6O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid
PubChem CID54290737
Molecular FormulaC8H18N6O3
Molecular Weight246.27 g/mol
Exact Mass246.14
IUPAC Name2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid
SMILESNC(CCNNNNC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H18N6O3/c9-6(7(15)16)3-4-10-13-14-12-8(17)11-5-1-2-5/h5-6,10,13-14H,1-4,9H2,(H,15,16)(H2,11,12,17)
InChIKeyRXIAPODIZNYYGW-UHFFFAOYSA-N
XLogP-2.24
TPSA140.54 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.27
LogP ≤ 5-2.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid
CID 54548287
2-amino-6-(cyclopropylamino)hexanoic acid
CID 67330601
2-amino-3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385362
2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 60930107
2-amino-3-[10-(cyclopropylcarbamoylamino)decylsulfanyl]propanoic acid
CID 110184817
2-amino-4-(cyclopentylmethylamino)butanoic acid
CID 115241244
2-amino-4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 60930347
(2S)-2-amino-3-(oxan-4-ylcarbamoylamino)propanoic acid
CID 67154203
(2S)-2-amino-3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 107773263
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4-(2-cyclopentylethylamino)butanoic acid
CID 115241359
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid?
The IUPAC name of 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid (CID 54290737) is 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid?
The canonical SMILES for 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid is NC(CCNNNNC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid?
The InChIKey is RXIAPODIZNYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6O3/c9-6(7(15)16)3-4-10-13-14-12-8(17)11-5-1-2-5/h5-6,10,13-14H,1-4,9H2,(H,15,16)(H2,11,12,17).
What are the key properties of 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid?
2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid has a molecular weight of 246.27 g/mol, XLogP of -2.24, 8 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid is sourced from PubChem (CID 54290737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).