5-amino-5-imino-2-propan-2-ylpentanoic acid

C8H16N2O2 — CID 161485989

IUPAC5-amino-5-imino-2-propan-2-ylpentanoic acid
SMILES[H]/N=C(\N)CCC(C(=O)O)C(C)C
InChIInChI=1S/C8H16N2O2/c1-5(2)6(8(11)12)3-4-7(9)10/h5-6H,3-4H2,1-2H3,(H3,9,10)(H,11,12)
InChIKeyVAGZZUWMOCDMPL-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.06
Rot. Bonds5

About 5-amino-5-imino-2-propan-2-ylpentanoic acid

5-amino-5-imino-2-propan-2-ylpentanoic acid (PubChem CID 161485989) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-amino-5-imino-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-imino-2-propan-2-ylpentanoic acid
PubChem CID161485989
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name5-amino-5-imino-2-propan-2-ylpentanoic acid
SMILES[H]/N=C(\N)CCC(C(=O)O)C(C)C
InChIInChI=1S/C8H16N2O2/c1-5(2)6(8(11)12)3-4-7(9)10/h5-6H,3-4H2,1-2H3,(H3,9,10)(H,11,12)
InChIKeyVAGZZUWMOCDMPL-UHFFFAOYSA-N
XLogP1.06
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-carbamimidoyl-5-methylhexanoic acid
CID 141366618
5-hydroxy-4-methylpentanimidamide
CID 91614670
5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid
CID 112515283
4,4-diiodobutanimidamide
CID 57304657
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
ethane;2-propan-2-ylpentanoic acid
CID 175540570
5-amino-7-methyl-6-oxooctanimidamide
CID 159228449
ethyl 5-amino-2-carbamimidoyl-5-iminopentanoate
CID 141469692
methyl 7-amino-7-imino-2-methylheptanoate
CID 58186401
5-(hydroxymethyl)-6-methylheptanimidamide
CID 54357871
5-amino-6-oxoheptanimidamide
CID 58534097
4-propoxypentanimidamide
CID 158121909

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-imino-2-propan-2-ylpentanoic acid?
The IUPAC name of 5-amino-5-imino-2-propan-2-ylpentanoic acid (CID 161485989) is 5-amino-5-imino-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 5-amino-5-imino-2-propan-2-ylpentanoic acid?
The canonical SMILES for 5-amino-5-imino-2-propan-2-ylpentanoic acid is [H]/N=C(\N)CCC(C(=O)O)C(C)C.
What is the InChIKey of 5-amino-5-imino-2-propan-2-ylpentanoic acid?
The InChIKey is VAGZZUWMOCDMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(2)6(8(11)12)3-4-7(9)10/h5-6H,3-4H2,1-2H3,(H3,9,10)(H,11,12).
What are the key properties of 5-amino-5-imino-2-propan-2-ylpentanoic acid?
5-amino-5-imino-2-propan-2-ylpentanoic acid has a molecular weight of 172.23 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-imino-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 161485989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).