4-amino-5-(oxan-3-yl)pentanoic acid

C10H19NO3 — CID 63741616

IUPAC4-amino-5-(oxan-3-yl)pentanoic acid
SMILESNC(CCC(=O)O)CC1CCCOC1
InChIInChI=1S/C10H19NO3/c11-9(3-4-10(12)13)6-8-2-1-5-14-7-8/h8-9H,1-7,11H2,(H,12,13)
InChIKeyVKQYQANGNKVAFF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.00
Rot. Bonds5

About 4-amino-5-(oxan-3-yl)pentanoic acid

4-amino-5-(oxan-3-yl)pentanoic acid (PubChem CID 63741616) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-amino-5-(oxan-3-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(oxan-3-yl)pentanoic acid
PubChem CID63741616
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-amino-5-(oxan-3-yl)pentanoic acid
SMILESNC(CCC(=O)O)CC1CCCOC1
InChIInChI=1S/C10H19NO3/c11-9(3-4-10(12)13)6-8-2-1-5-14-7-8/h8-9H,1-7,11H2,(H,12,13)
InChIKeyVKQYQANGNKVAFF-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(oxolan-3-yl)pentanoic acid
CID 62961692
(2S)-2-amino-3-(oxan-3-yl)propan-1-ol;hydrochloride
CID 91928336
4-amino-4-(oxan-3-yl)butanoic acid
CID 82602426
(2S)-2-fluoro-3-[(3S)-oxan-3-yl]propanoic acid
CID 129372190
1-(oxan-3-yl)propan-2-amine
CID 63737520
2-fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431675
4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103986756
[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
CID 68708714
5-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103986842
molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane
CID 143487005
[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid
CID 69191542
5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(oxan-3-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(oxan-3-yl)pentanoic acid (CID 63741616) is 4-amino-5-(oxan-3-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(oxan-3-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(oxan-3-yl)pentanoic acid is NC(CCC(=O)O)CC1CCCOC1.
What is the InChIKey of 4-amino-5-(oxan-3-yl)pentanoic acid?
The InChIKey is VKQYQANGNKVAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c11-9(3-4-10(12)13)6-8-2-1-5-14-7-8/h8-9H,1-7,11H2,(H,12,13).
What are the key properties of 4-amino-5-(oxan-3-yl)pentanoic acid?
4-amino-5-(oxan-3-yl)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(oxan-3-yl)pentanoic acid is sourced from PubChem (CID 63741616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).