2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid

C12H23NO3 — CID 83041808

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC)CC1CCCO1
InChIInChI=1S/C12H23NO3/c1-3-6-11(12(14)15)13(4-2)9-10-7-5-8-16-10/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPZVBSARTRHUJKR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds7

About 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid

2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid (PubChem CID 83041808) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
PubChem CID83041808
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC)CC1CCCO1
InChIInChI=1S/C12H23NO3/c1-3-6-11(12(14)15)13(4-2)9-10-7-5-8-16-10/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPZVBSARTRHUJKR-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
CID 83040578
2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid
CID 106632468
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 107569428
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846
3-[ethyl(oxolan-2-ylmethyl)amino]prop-2-enoic acid
CID 79896768
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 66432481
2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
CID 82328121
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
CID 66427136
2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223097
2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
CID 65162256
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid (CID 83041808) is 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid is CCCC(C(=O)O)N(CC)CC1CCCO1.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid?
The InChIKey is PZVBSARTRHUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-6-11(12(14)15)13(4-2)9-10-7-5-8-16-10/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid?
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 83041808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).