propan-2-yl (2S)-2-(iodoamino)propanoate

C6H12INO2 — CID 122534209

IUPACpropan-2-yl (2S)-2-(iodoamino)propanoate
SMILESCC(C)OC(=O)[C@H](C)NI
InChIInChI=1S/C6H12INO2/c1-4(2)10-6(9)5(3)8-7/h4-5,8H,1-3H3/t5-/m0/s1
InChIKeyCTLPFQZHGDJGLQ-YFKPBYRVSA-N
MW257.07 g/mol
LogP1.27
Rot. Bonds3

About propan-2-yl (2S)-2-(iodoamino)propanoate

propan-2-yl (2S)-2-(iodoamino)propanoate (PubChem CID 122534209) has the molecular formula C6H12INO2 and a molecular weight of 257.07 g/mol. Its IUPAC name is propan-2-yl (2S)-2-(iodoamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-(iodoamino)propanoate
PubChem CID122534209
Molecular FormulaC6H12INO2
Molecular Weight257.07 g/mol
Exact Mass256.99
IUPAC Namepropan-2-yl (2S)-2-(iodoamino)propanoate
SMILESCC(C)OC(=O)[C@H](C)NI
InChIInChI=1S/C6H12INO2/c1-4(2)10-6(9)5(3)8-7/h4-5,8H,1-3H3/t5-/m0/s1
InChIKeyCTLPFQZHGDJGLQ-YFKPBYRVSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
CID 167499810
[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
CID 144985569
propan-2-yl 2-(methylphosphanylamino)propanoate
CID 145444440
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
CID 123139392
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
CID 90399130
methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate
CID 173263875
(2S)-2-(iodoamino)propanoic acid
CID 54416510

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-(iodoamino)propanoate?
The IUPAC name of propan-2-yl (2S)-2-(iodoamino)propanoate (CID 122534209) is propan-2-yl (2S)-2-(iodoamino)propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-(iodoamino)propanoate?
The canonical SMILES for propan-2-yl (2S)-2-(iodoamino)propanoate is CC(C)OC(=O)[C@H](C)NI.
What is the InChIKey of propan-2-yl (2S)-2-(iodoamino)propanoate?
The InChIKey is CTLPFQZHGDJGLQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12INO2/c1-4(2)10-6(9)5(3)8-7/h4-5,8H,1-3H3/t5-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-(iodoamino)propanoate?
propan-2-yl (2S)-2-(iodoamino)propanoate has a molecular weight of 257.07 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-(iodoamino)propanoate is sourced from PubChem (CID 122534209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).