3-iodopropyl (2R)-2-amino-3-methylbutanoate

C8H16INO2 — CID 90070653

IUPAC3-iodopropyl (2R)-2-amino-3-methylbutanoate
SMILESCC(C)[C@@H](N)C(=O)OCCCI
InChIInChI=1S/C8H16INO2/c1-6(2)7(10)8(11)12-5-3-4-9/h6-7H,3-5,10H2,1-2H3/t7-/m1/s1
InChIKeyUHFRSYVXGWYADW-SSDOTTSWSA-N
MW285.13 g/mol
LogP1.34
Rot. Bonds5

About 3-iodopropyl (2R)-2-amino-3-methylbutanoate

3-iodopropyl (2R)-2-amino-3-methylbutanoate (PubChem CID 90070653) has the molecular formula C8H16INO2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 3-iodopropyl (2R)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name3-iodopropyl (2R)-2-amino-3-methylbutanoate
PubChem CID90070653
Molecular FormulaC8H16INO2
Molecular Weight285.13 g/mol
Exact Mass285.02
IUPAC Name3-iodopropyl (2R)-2-amino-3-methylbutanoate
SMILESCC(C)[C@@H](N)C(=O)OCCCI
InChIInChI=1S/C8H16INO2/c1-6(2)7(10)8(11)12-5-3-4-9/h6-7H,3-5,10H2,1-2H3/t7-/m1/s1
InChIKeyUHFRSYVXGWYADW-SSDOTTSWSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
5-hydroxypentyl (2R)-2-amino-3-methylbutanoate
CID 87078511
dodecyl 2-amino-3-methylbutanoate
CID 6453804
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-(methylamino)ethyl 2-amino-3-methylbutanoate
CID 72523693
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
methane;2-nitrooxyethyl 2-amino-3-methylbutanoate;3-nitrooxypropyl 2-amino-3-methylbutanoate
CID 158396182
sodium;hydride;undec-10-enyl (2S)-2-amino-3-methylbutanoate
CID 173314376
ethanesulfonic acid;16-methylheptadecyl (2S)-2-amino-3-methylbutanoate
CID 175817715
iodo 2-amino-3-methylbutanoate
CID 76549706
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483

Frequently Asked Questions

What is the IUPAC name of 3-iodopropyl (2R)-2-amino-3-methylbutanoate?
The IUPAC name of 3-iodopropyl (2R)-2-amino-3-methylbutanoate (CID 90070653) is 3-iodopropyl (2R)-2-amino-3-methylbutanoate.
What is the SMILES notation for 3-iodopropyl (2R)-2-amino-3-methylbutanoate?
The canonical SMILES for 3-iodopropyl (2R)-2-amino-3-methylbutanoate is CC(C)[C@@H](N)C(=O)OCCCI.
What is the InChIKey of 3-iodopropyl (2R)-2-amino-3-methylbutanoate?
The InChIKey is UHFRSYVXGWYADW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16INO2/c1-6(2)7(10)8(11)12-5-3-4-9/h6-7H,3-5,10H2,1-2H3/t7-/m1/s1.
What are the key properties of 3-iodopropyl (2R)-2-amino-3-methylbutanoate?
3-iodopropyl (2R)-2-amino-3-methylbutanoate has a molecular weight of 285.13 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopropyl (2R)-2-amino-3-methylbutanoate is sourced from PubChem (CID 90070653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).