5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid

C13H23NO4 — CID 62964406

IUPAC5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC1CCOC1)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H23NO4/c1-3-14(8-11-4-5-18-9-11)12(15)6-10(2)7-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyPAJFEKZIPNMVMN-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.37
Rot. Bonds7

About 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid

5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62964406) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62964406
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC1CCOC1)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H23NO4/c1-3-14(8-11-4-5-18-9-11)12(15)6-10(2)7-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyPAJFEKZIPNMVMN-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131
5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963883
5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 107397516
2-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569649
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid (CID 62964406) is 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid is CCN(CC1CCOC1)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is PAJFEKZIPNMVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-14(8-11-4-5-18-9-11)12(15)6-10(2)7-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).