4-amino-2-butoxycarbonylbutanoic acid

C9H17NO4 — CID 54187137

IUPAC4-amino-2-butoxycarbonylbutanoic acid
SMILESCCCCOC(=O)C(CCN)C(=O)O
InChIInChI=1S/C9H17NO4/c1-2-3-6-14-9(13)7(4-5-10)8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyPFVZRVQHTZSWFW-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.38
Rot. Bonds7

About 4-amino-2-butoxycarbonylbutanoic acid

4-amino-2-butoxycarbonylbutanoic acid (PubChem CID 54187137) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-2-butoxycarbonylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-butoxycarbonylbutanoic acid
PubChem CID54187137
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-amino-2-butoxycarbonylbutanoic acid
SMILESCCCCOC(=O)C(CCN)C(=O)O
InChIInChI=1S/C9H17NO4/c1-2-3-6-14-9(13)7(4-5-10)8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyPFVZRVQHTZSWFW-UHFFFAOYSA-N
XLogP0.38
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxycarbonylbutanoic acid?
The IUPAC name of 4-amino-2-butoxycarbonylbutanoic acid (CID 54187137) is 4-amino-2-butoxycarbonylbutanoic acid.
What is the SMILES notation for 4-amino-2-butoxycarbonylbutanoic acid?
The canonical SMILES for 4-amino-2-butoxycarbonylbutanoic acid is CCCCOC(=O)C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-butoxycarbonylbutanoic acid?
The InChIKey is PFVZRVQHTZSWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-3-6-14-9(13)7(4-5-10)8(11)12/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-2-butoxycarbonylbutanoic acid?
4-amino-2-butoxycarbonylbutanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butoxycarbonylbutanoic acid is sourced from PubChem (CID 54187137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).