[(2R)-4-iodobutan-2-yl]carbamic acid

C5H10INO2 — CID 141075426

IUPAC[(2R)-4-iodobutan-2-yl]carbamic acid
SMILESC[C@H](CCI)NC(=O)O
InChIInChI=1S/C5H10INO2/c1-4(2-3-6)7-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeyBTKHFOFOLZXNRQ-SCSAIBSYSA-N
MW243.04 g/mol
LogP1.47
Rot. Bonds3

About [(2R)-4-iodobutan-2-yl]carbamic acid

[(2R)-4-iodobutan-2-yl]carbamic acid (PubChem CID 141075426) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is [(2R)-4-iodobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-4-iodobutan-2-yl]carbamic acid
PubChem CID141075426
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Name[(2R)-4-iodobutan-2-yl]carbamic acid
SMILESC[C@H](CCI)NC(=O)O
InChIInChI=1S/C5H10INO2/c1-4(2-3-6)7-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeyBTKHFOFOLZXNRQ-SCSAIBSYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255
5-(ethylamino)pentan-2-ylcarbamic acid
CID 87840492
pent-4-en-2-ylcarbamic acid
CID 146626901
[(2S,4S)-5-hydroxy-4-methoxypentan-2-yl]carbamic acid
CID 118469879
1-sulfamoylpropan-2-ylcarbamic acid
CID 170165167
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
non-8-en-2-ylcarbamic acid
CID 175945835
[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
CID 146452761

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-iodobutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-4-iodobutan-2-yl]carbamic acid (CID 141075426) is [(2R)-4-iodobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-4-iodobutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-4-iodobutan-2-yl]carbamic acid is C[C@H](CCI)NC(=O)O.
What is the InChIKey of [(2R)-4-iodobutan-2-yl]carbamic acid?
The InChIKey is BTKHFOFOLZXNRQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10INO2/c1-4(2-3-6)7-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1.
What are the key properties of [(2R)-4-iodobutan-2-yl]carbamic acid?
[(2R)-4-iodobutan-2-yl]carbamic acid has a molecular weight of 243.04 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-iodobutan-2-yl]carbamic acid is sourced from PubChem (CID 141075426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).