4-[ethyl(propyl)amino]-4-oxobutanoic acid

C9H17NO3 — CID 43268517

IUPAC4-[ethyl(propyl)amino]-4-oxobutanoic acid
SMILESCCCN(CC)C(=O)CCC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-7-10(4-2)8(11)5-6-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyGEYLUZKASDPROV-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.11
Rot. Bonds6

About 4-[ethyl(propyl)amino]-4-oxobutanoic acid

4-[ethyl(propyl)amino]-4-oxobutanoic acid (PubChem CID 43268517) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-4-oxobutanoic acid
PubChem CID43268517
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-[ethyl(propyl)amino]-4-oxobutanoic acid
SMILESCCCN(CC)C(=O)CCC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-7-10(4-2)8(11)5-6-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyGEYLUZKASDPROV-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Methylpiperazin-1-yl)-4-oxobutanoic acid
CID 739318
4-(4-Acetylpiperazin-1-yl)-4-oxobutanoic acid
CID 851827
4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
N,N-Dimethylsuccinamic acid
CID 75717
Propyl N,N-diethylsuccinamate
CID 79913
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
Butyric acid, 4-(diethylamino)-
CID 44844
3-Carboxypropionamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-
CID 551031
Ethyl 4-(dipropylamino)-4-oxobutanoate
CID 82404
Ethyl 4-(diethylamino)-4-oxobutanoate
CID 347845
4-Oxo-4-(2-oxo-1-pyrrolidinyl)butyric acid
CID 14811461

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl(propyl)amino]-4-oxobutanoic acid (CID 43268517) is 4-[ethyl(propyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl(propyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl(propyl)amino]-4-oxobutanoic acid is CCCN(CC)C(=O)CCC(=O)O.
What is the InChIKey of 4-[ethyl(propyl)amino]-4-oxobutanoic acid?
The InChIKey is GEYLUZKASDPROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-7-10(4-2)8(11)5-6-9(12)13/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[ethyl(propyl)amino]-4-oxobutanoic acid?
4-[ethyl(propyl)amino]-4-oxobutanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43268517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).