2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid

C8H15NO3 — CID 62314712

IUPAC2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid
SMILESNCC(CC1CCOC1)C(=O)O
InChIInChI=1S/C8H15NO3/c9-4-7(8(10)11)3-6-1-2-12-5-6/h6-7H,1-5,9H2,(H,10,11)
InChIKeyMZRRZLQGZWKKDD-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.07
Rot. Bonds4

About 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid

2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid (PubChem CID 62314712) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid
PubChem CID62314712
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid
SMILESNCC(CC1CCOC1)C(=O)O
InChIInChI=1S/C8H15NO3/c9-4-7(8(10)11)3-6-1-2-12-5-6/h6-7H,1-5,9H2,(H,10,11)
InChIKeyMZRRZLQGZWKKDD-UHFFFAOYSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide
CID 62385012
4-amino-5-(oxolan-3-yl)pentanoic acid
CID 62961692
[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
CID 68708714
[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid
CID 69191542
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
(2S)-2-fluoro-3-[(3S)-oxan-3-yl]propanoic acid
CID 129372190
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
2-fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431675
1-(oxolan-3-yl)butane-2,3-diamine
CID 126685843
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid (CID 62314712) is 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid is NCC(CC1CCOC1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid?
The InChIKey is MZRRZLQGZWKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c9-4-7(8(10)11)3-6-1-2-12-5-6/h6-7H,1-5,9H2,(H,10,11).
What are the key properties of 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid?
2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid is sourced from PubChem (CID 62314712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).