4-tert-butyliminopentanoic acid

C9H17NO2 — CID 146611944

IUPAC4-tert-butyliminopentanoic acid
SMILESC/C(CCC(=O)O)=N\C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(5-6-8(11)12)10-9(2,3)4/h5-6H2,1-4H3,(H,11,12)/b10-7+
InChIKeyABHVQESHPYGTFH-JXMROGBWSA-N
MW171.24 g/mol
LogP2.11
Rot. Bonds3

About 4-tert-butyliminopentanoic acid

4-tert-butyliminopentanoic acid (PubChem CID 146611944) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-tert-butyliminopentanoic acid.

Molecular Properties

Compound Name4-tert-butyliminopentanoic acid
PubChem CID146611944
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-tert-butyliminopentanoic acid
SMILESC/C(CCC(=O)O)=N\C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(5-6-8(11)12)10-9(2,3)4/h5-6H2,1-4H3,(H,11,12)/b10-7+
InChIKeyABHVQESHPYGTFH-JXMROGBWSA-N
XLogP2.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylhydrazinylidene)pentanoic acid
CID 88817023
acetamide;butanedioic acid
CID 175267619
azane;butanedioic acid;methanol
CID 131741728
butanedioic acid;cyclobutane
CID 157277656
(4E)-4-[[(Z)-4-carboxybutan-2-ylideneamino]carbamothioylhydrazinylidene]pentanoic acid
CID 6251262
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
4-oxopentanoic acid;zinc
CID 87190982
4-tert-butylimino-2-iminopentanoic acid
CID 123412428

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyliminopentanoic acid?
The IUPAC name of 4-tert-butyliminopentanoic acid (CID 146611944) is 4-tert-butyliminopentanoic acid.
What is the SMILES notation for 4-tert-butyliminopentanoic acid?
The canonical SMILES for 4-tert-butyliminopentanoic acid is C/C(CCC(=O)O)=N\C(C)(C)C.
What is the InChIKey of 4-tert-butyliminopentanoic acid?
The InChIKey is ABHVQESHPYGTFH-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(5-6-8(11)12)10-9(2,3)4/h5-6H2,1-4H3,(H,11,12)/b10-7+.
What are the key properties of 4-tert-butyliminopentanoic acid?
4-tert-butyliminopentanoic acid has a molecular weight of 171.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyliminopentanoic acid is sourced from PubChem (CID 146611944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).