2-(oxolan-3-ylamino)pentanoic acid

C9H17NO3 — CID 63557369

IUPAC2-(oxolan-3-ylamino)pentanoic acid
SMILESCCCC(NC1CCOC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-3-8(9(11)12)10-7-4-5-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyGWCYZKNRKXAWLT-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds5

About 2-(oxolan-3-ylamino)pentanoic acid

2-(oxolan-3-ylamino)pentanoic acid (PubChem CID 63557369) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(oxolan-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylamino)pentanoic acid
PubChem CID63557369
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(oxolan-3-ylamino)pentanoic acid
SMILESCCCC(NC1CCOC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-3-8(9(11)12)10-7-4-5-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyGWCYZKNRKXAWLT-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid
CID 65055607
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
CID 97329335
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid
CID 65055653
1-hexan-3-yl-3-(oxolan-3-yl)urea
CID 115759008
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
(2R)-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567009
2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
CID 83042057
2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylamino)pentanoic acid?
The IUPAC name of 2-(oxolan-3-ylamino)pentanoic acid (CID 63557369) is 2-(oxolan-3-ylamino)pentanoic acid.
What is the SMILES notation for 2-(oxolan-3-ylamino)pentanoic acid?
The canonical SMILES for 2-(oxolan-3-ylamino)pentanoic acid is CCCC(NC1CCOC1)C(=O)O.
What is the InChIKey of 2-(oxolan-3-ylamino)pentanoic acid?
The InChIKey is GWCYZKNRKXAWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-8(9(11)12)10-7-4-5-13-6-7/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(oxolan-3-ylamino)pentanoic acid?
2-(oxolan-3-ylamino)pentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylamino)pentanoic acid is sourced from PubChem (CID 63557369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).