(2R)-2-aminopropanoic acid;thietane-2-carboxamide

C7H14N2O3S — CID 67611109

IUPAC(2R)-2-aminopropanoic acid;thietane-2-carboxamide
SMILESC[C@@H](N)C(=O)O.NC(=O)C1CCS1
InChIInChI=1S/C4H7NOS.C3H7NO2/c5-4(6)3-1-2-7-3;1-2(4)3(5)6/h3H,1-2H2,(H2,5,6);2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1
InChIKeyNURLUWWCIIUURL-ARGLLVQISA-N
MW206.27 g/mol
LogP-0.60
Rot. Bonds2

About (2R)-2-aminopropanoic acid;thietane-2-carboxamide

(2R)-2-aminopropanoic acid;thietane-2-carboxamide (PubChem CID 67611109) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (2R)-2-aminopropanoic acid;thietane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-aminopropanoic acid;thietane-2-carboxamide
PubChem CID67611109
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(2R)-2-aminopropanoic acid;thietane-2-carboxamide
SMILESC[C@@H](N)C(=O)O.NC(=O)C1CCS1
InChIInChI=1S/C4H7NOS.C3H7NO2/c5-4(6)3-1-2-7-3;1-2(4)3(5)6/h3H,1-2H2,(H2,5,6);2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1
InChIKeyNURLUWWCIIUURL-ARGLLVQISA-N
XLogP-0.60
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-aminopropanoic acid;thietane-2-carboxamide 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-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
2-aminopropanoic acid;2-hydroxypropanamide
CID 174928864
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
thiane-2-carboxamide
CID 54328325
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopropanoic acid;thietane-2-carboxamide?
The IUPAC name of (2R)-2-aminopropanoic acid;thietane-2-carboxamide (CID 67611109) is (2R)-2-aminopropanoic acid;thietane-2-carboxamide.
What is the SMILES notation for (2R)-2-aminopropanoic acid;thietane-2-carboxamide?
The canonical SMILES for (2R)-2-aminopropanoic acid;thietane-2-carboxamide is C[C@@H](N)C(=O)O.NC(=O)C1CCS1.
What is the InChIKey of (2R)-2-aminopropanoic acid;thietane-2-carboxamide?
The InChIKey is NURLUWWCIIUURL-ARGLLVQISA-N. The full InChI is InChI=1S/C4H7NOS.C3H7NO2/c5-4(6)3-1-2-7-3;1-2(4)3(5)6/h3H,1-2H2,(H2,5,6);2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1.
What are the key properties of (2R)-2-aminopropanoic acid;thietane-2-carboxamide?
(2R)-2-aminopropanoic acid;thietane-2-carboxamide has a molecular weight of 206.27 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopropanoic acid;thietane-2-carboxamide is sourced from PubChem (CID 67611109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).