(2S)-2-(iodoamino)propanoic acid

C3H6INO2 — CID 54416510

IUPAC(2S)-2-(iodoamino)propanoic acid
SMILESC[C@H](NI)C(=O)O
InChIInChI=1S/C3H6INO2/c1-2(5-4)3(6)7/h2,5H,1H3,(H,6,7)/t2-/m0/s1
InChIKeyVXVGAVGVIKGFSI-REOHCLBHSA-N
MW214.99 g/mol
LogP0.40
Rot. Bonds2

About (2S)-2-(iodoamino)propanoic acid

(2S)-2-(iodoamino)propanoic acid (PubChem CID 54416510) has the molecular formula C3H6INO2 and a molecular weight of 214.99 g/mol. Its IUPAC name is (2S)-2-(iodoamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(iodoamino)propanoic acid
PubChem CID54416510
Molecular FormulaC3H6INO2
Molecular Weight214.99 g/mol
Exact Mass214.94
IUPAC Name(2S)-2-(iodoamino)propanoic acid
SMILESC[C@H](NI)C(=O)O
InChIInChI=1S/C3H6INO2/c1-2(5-4)3(6)7/h2,5H,1H3,(H,6,7)/t2-/m0/s1
InChIKeyVXVGAVGVIKGFSI-REOHCLBHSA-N
XLogP0.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (2S)-2-(iodoamino)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

(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
[(1-Carboxyethyl)amino]oxidanyl
CID 165359193
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498098
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
trisodium;2-(1-carboxyethylamino)propanedioic acid;hydride
CID 174988964
(2S)-2-(2-methylhydrazinyl)propanoic acid;hydrochloride
CID 135156009
2-[[carboxy(hydroxy)methyl]amino]propanoic acid
CID 21195363
(2S)-2-(acetamidomethylamino)propanoic acid
CID 71351158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(iodoamino)propanoic acid?
The IUPAC name of (2S)-2-(iodoamino)propanoic acid (CID 54416510) is (2S)-2-(iodoamino)propanoic acid.
What is the SMILES notation for (2S)-2-(iodoamino)propanoic acid?
The canonical SMILES for (2S)-2-(iodoamino)propanoic acid is C[C@H](NI)C(=O)O.
What is the InChIKey of (2S)-2-(iodoamino)propanoic acid?
The InChIKey is VXVGAVGVIKGFSI-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6INO2/c1-2(5-4)3(6)7/h2,5H,1H3,(H,6,7)/t2-/m0/s1.
What are the key properties of (2S)-2-(iodoamino)propanoic acid?
(2S)-2-(iodoamino)propanoic acid has a molecular weight of 214.99 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(iodoamino)propanoic acid is sourced from PubChem (CID 54416510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).