(2R)-2-(oxan-2-ylamino)propanoic acid

C8H15NO3 — CID 68789041

IUPAC(2R)-2-(oxan-2-ylamino)propanoic acid
SMILESC[C@@H](NC1CCCCO1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-6(8(10)11)9-7-4-2-3-5-12-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7?/m1/s1
InChIKeyHTCHPZDAWZATON-ULUSZKPHSA-N
MW173.21 g/mol
LogP0.58
Rot. Bonds3

About (2R)-2-(oxan-2-ylamino)propanoic acid

(2R)-2-(oxan-2-ylamino)propanoic acid (PubChem CID 68789041) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2R)-2-(oxan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(oxan-2-ylamino)propanoic acid
PubChem CID68789041
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2R)-2-(oxan-2-ylamino)propanoic acid
SMILESC[C@@H](NC1CCCCO1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-6(8(10)11)9-7-4-2-3-5-12-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7?/m1/s1
InChIKeyHTCHPZDAWZATON-ULUSZKPHSA-N
XLogP0.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(oxan-2-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

(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
2-(1-cyclohexylethenylamino)propanoic acid
CID 130335195
3-hydroxy-2-methyl-3-(oxan-2-yl)propanoic acid
CID 67731056
2-(oxan-2-yloxy)propanoic acid
CID 542280
N-[(2R)-oxan-2-yl]-2-(phosphanylamino)acetamide
CID 58384212
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanoic acid
CID 61499724
2-[(2-oxooxolan-3-yl)amino]propanoic acid
CID 14819286
N-(oxan-2-yl)benzamide
CID 3717262
2-N-(oxolan-2-yl)propane-1,2-diamine
CID 135236045
(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid
CID 155904090
N-pentan-2-yloxolan-2-amine
CID 173097405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxan-2-ylamino)propanoic acid?
The IUPAC name of (2R)-2-(oxan-2-ylamino)propanoic acid (CID 68789041) is (2R)-2-(oxan-2-ylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(oxan-2-ylamino)propanoic acid?
The canonical SMILES for (2R)-2-(oxan-2-ylamino)propanoic acid is C[C@@H](NC1CCCCO1)C(=O)O.
What is the InChIKey of (2R)-2-(oxan-2-ylamino)propanoic acid?
The InChIKey is HTCHPZDAWZATON-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(8(10)11)9-7-4-2-3-5-12-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7?/m1/s1.
What are the key properties of (2R)-2-(oxan-2-ylamino)propanoic acid?
(2R)-2-(oxan-2-ylamino)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxan-2-ylamino)propanoic acid is sourced from PubChem (CID 68789041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).