3-(oxan-3-ylamino)propanoic acid

C8H15NO3 — CID 63363556

IUPAC3-(oxan-3-ylamino)propanoic acid
SMILESO=C(O)CCNC1CCCOC1
InChIInChI=1S/C8H15NO3/c10-8(11)3-4-9-7-2-1-5-12-6-7/h7,9H,1-6H2,(H,10,11)
InChIKeyABCJLECTYKIXQO-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds4

About 3-(oxan-3-ylamino)propanoic acid

3-(oxan-3-ylamino)propanoic acid (PubChem CID 63363556) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-(oxan-3-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(oxan-3-ylamino)propanoic acid
PubChem CID63363556
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-(oxan-3-ylamino)propanoic acid
SMILESO=C(O)CCNC1CCCOC1
InChIInChI=1S/C8H15NO3/c10-8(11)3-4-9-7-2-1-5-12-6-7/h7,9H,1-6H2,(H,10,11)
InChIKeyABCJLECTYKIXQO-UHFFFAOYSA-N
XLogP0.23
TPSA58.56 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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(oxan-3-ylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(oxan-3-ylamino)propanoate
CID 63363910
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
methyl 2-(oxan-3-ylamino)acetate
CID 63364006
ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate
CID 115889525
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
N,N-dimethyl-3-(oxolan-3-ylamino)propanamide
CID 63335526
2-(1,4-dioxepan-6-ylamino)acetic acid
CID 130559487
3-[(3-cyclopropylcyclohexyl)amino]propanoic acid
CID 64593896
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylamino)propanoic acid?
The IUPAC name of 3-(oxan-3-ylamino)propanoic acid (CID 63363556) is 3-(oxan-3-ylamino)propanoic acid.
What is the SMILES notation for 3-(oxan-3-ylamino)propanoic acid?
The canonical SMILES for 3-(oxan-3-ylamino)propanoic acid is O=C(O)CCNC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylamino)propanoic acid?
The InChIKey is ABCJLECTYKIXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-8(11)3-4-9-7-2-1-5-12-6-7/h7,9H,1-6H2,(H,10,11).
What are the key properties of 3-(oxan-3-ylamino)propanoic acid?
3-(oxan-3-ylamino)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylamino)propanoic acid is sourced from PubChem (CID 63363556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).