4-[(4-methoxy-4-oxobutyl)amino]butanoic acid

C9H17NO4 — CID 139888388

IUPAC4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
SMILESCOC(=O)CCCNCCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-14-9(13)5-3-7-10-6-2-4-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyRIRKRHKTEFMQKF-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds8

About 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid

4-[(4-methoxy-4-oxobutyl)amino]butanoic acid (PubChem CID 139888388) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
PubChem CID139888388
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
SMILESCOC(=O)CCCNCCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-14-9(13)5-3-7-10-6-2-4-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyRIRKRHKTEFMQKF-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
4-(3-carboxypropylamino)butanoic acid
CID 4072500
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944
methyl 4-(ethylamino)butanoate;dihydrochloride
CID 174870876
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
methyl 4-(decylamino)butanoate;hydrochloride
CID 71755516
dodecanoic acid;methyl hexadecanoate
CID 172688235
decanoic acid;methyl hexanoate
CID 160741081
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid?
The IUPAC name of 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid (CID 139888388) is 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid is COC(=O)CCCNCCCC(=O)O.
What is the InChIKey of 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid?
The InChIKey is RIRKRHKTEFMQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-14-9(13)5-3-7-10-6-2-4-8(11)12/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid?
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-4-oxobutyl)amino]butanoic acid is sourced from PubChem (CID 139888388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).