4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid

C11H22N2O3 — CID 43473350

IUPAC4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
SMILESCCN(CC)C(=O)C(C)NCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-13(5-2)11(16)9(3)12-8-6-7-10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyYECZQIHGCULVHP-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds8

About 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid

4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid (PubChem CID 43473350) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
PubChem CID43473350
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
SMILESCCN(CC)C(=O)C(C)NCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-13(5-2)11(16)9(3)12-8-6-7-10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyYECZQIHGCULVHP-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
N,N-diethyl-2-(3-fluoropropylamino)propanamide
CID 115731800
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
CID 83120791
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
N,N-diethyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 115588925
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
4-(2-methylpentan-3-ylamino)butanoic acid
CID 60782798
methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108728
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The IUPAC name of 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid (CID 43473350) is 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid.
What is the SMILES notation for 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The canonical SMILES for 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid is CCN(CC)C(=O)C(C)NCCCC(=O)O.
What is the InChIKey of 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid?
The InChIKey is YECZQIHGCULVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-13(5-2)11(16)9(3)12-8-6-7-10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid?
4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid is sourced from PubChem (CID 43473350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).