5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C14H25NO4 — CID 62933399

IUPAC5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCN(CC1CCCO1)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H25NO4/c1-4-15(10-11-6-5-7-19-11)12(16)8-14(2,3)9-13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyUAQXVKWFHTWGMW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds7

About 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933399) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933399
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCN(CC1CCCO1)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H25NO4/c1-4-15(10-11-6-5-7-19-11)12(16)8-14(2,3)9-13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyUAQXVKWFHTWGMW-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
6-amino-N-ethyl-4,4-dimethyl-N-(oxolan-2-ylmethyl)hexanamide
CID 65292320
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
N-ethyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931904

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62933399) is 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid is CCN(CC1CCCO1)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is UAQXVKWFHTWGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-15(10-11-6-5-7-19-11)12(16)8-14(2,3)9-13(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).