3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride

C7H14ClNO3 — CID 42614428

IUPAC3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
SMILESCl.NC(CC(=O)O)C1CCOC1
InChIInChI=1S/C7H13NO3.ClH/c8-6(3-7(9)10)5-1-2-11-4-5;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyKVVCYGFIKOQXIS-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.25
Rot. Bonds3

About 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride

3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride (PubChem CID 42614428) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
PubChem CID42614428
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
SMILESCl.NC(CC(=O)O)C1CCOC1
InChIInChI=1S/C7H13NO3.ClH/c8-6(3-7(9)10)5-1-2-11-4-5;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyKVVCYGFIKOQXIS-UHFFFAOYSA-N
XLogP0.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
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4-amino-4-(oxan-3-yl)butanoic acid
CID 82602426
(3S)-3-formamido-3-(oxolan-3-yl)propanoic acid
CID 104941249
(2R)-2-(oxan-4-yl)butanedioic acid
CID 129389221
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
CID 174434398
1-(oxolan-3-yl)butan-1-amine
CID 63564938
4-amino-3-(oxan-4-yl)hexanoic acid
CID 66096291
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
2-amino-3-(oxolan-3-yl)butanoic acid
CID 164654372
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride (CID 42614428) is 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride is Cl.NC(CC(=O)O)C1CCOC1.
What is the InChIKey of 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride?
The InChIKey is KVVCYGFIKOQXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c8-6(3-7(9)10)5-1-2-11-4-5;/h5-6H,1-4,8H2,(H,9,10);1H.
What are the key properties of 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride?
3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 42614428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).