4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid

C8H13N3O3 — CID 175546384

IUPAC4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid
SMILES[H]/N=C(/CCNNC(=O)C1CC1)C(=O)O
InChIInChI=1S/C8H13N3O3/c9-6(8(13)14)3-4-10-11-7(12)5-1-2-5/h5,9-10H,1-4H2,(H,11,12)(H,13,14)/b9-6-
InChIKeyIBQGHCXCEGELMX-TWGQIWQCSA-N
MW199.21 g/mol
LogP-0.49
Rot. Bonds6

About 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid

4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid (PubChem CID 175546384) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid
PubChem CID175546384
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid
SMILES[H]/N=C(/CCNNC(=O)C1CC1)C(=O)O
InChIInChI=1S/C8H13N3O3/c9-6(8(13)14)3-4-10-11-7(12)5-1-2-5/h5,9-10H,1-4H2,(H,11,12)(H,13,14)/b9-6-
InChIKeyIBQGHCXCEGELMX-TWGQIWQCSA-N
XLogP-0.49
TPSA102.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-iminohexanoic acid
CID 54447751
N'-(2-chloroacetyl)cyclobutanecarbohydrazide
CID 52908224
3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide
CID 10012974
N'-(2-aminoacetyl)cyclopropanecarbohydrazide
CID 82111219
N'-acetylcyclopropanecarbohydrazide
CID 118429111
cis-(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide;sulfuric acid
CID 3058315
2-(cyclopropanecarboximidoyl)prop-2-enoic acid
CID 155281034
N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide
CID 51117816
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate
CID 3953130
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
3-[[4-(acetamidomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 23790627

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid?
The IUPAC name of 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid (CID 175546384) is 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid.
What is the SMILES notation for 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid?
The canonical SMILES for 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid is [H]/N=C(/CCNNC(=O)C1CC1)C(=O)O.
What is the InChIKey of 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid?
The InChIKey is IBQGHCXCEGELMX-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-6(8(13)14)3-4-10-11-7(12)5-1-2-5/h5,9-10H,1-4H2,(H,11,12)(H,13,14)/b9-6-.
What are the key properties of 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid?
4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid is sourced from PubChem (CID 175546384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).