2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid

C14H25NO4 — CID 43533852

IUPAC2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid
SMILESCCC(CC)(CC(=O)NC(C)C1CCCO1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-14(5-2,13(17)18)9-12(16)15-10(3)11-7-6-8-19-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKSRDOMCQXZFKKS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds7

About 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid

2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid (PubChem CID 43533852) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid
PubChem CID43533852
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid
SMILESCCC(CC)(CC(=O)NC(C)C1CCCO1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-14(5-2,13(17)18)9-12(16)15-10(3)11-7-6-8-19-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKSRDOMCQXZFKKS-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 65265903
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61198697
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 63994833
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid?
The IUPAC name of 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid (CID 43533852) is 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid.
What is the SMILES notation for 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid?
The canonical SMILES for 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid is CCC(CC)(CC(=O)NC(C)C1CCCO1)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid?
The InChIKey is KSRDOMCQXZFKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-14(5-2,13(17)18)9-12(16)15-10(3)11-7-6-8-19-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid?
2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid is sourced from PubChem (CID 43533852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).