(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid

C9H16INO2 — CID 142921806

IUPAC(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
SMILESO=C(O)[C@H](CC1CCCCC1)NI
InChIInChI=1S/C9H16INO2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13)/t8-/m0/s1
InChIKeyNANCSXQIVLISAI-QMMMGPOBSA-N
MW297.14 g/mol
LogP2.35
Rot. Bonds4

About (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid

(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid (PubChem CID 142921806) has the molecular formula C9H16INO2 and a molecular weight of 297.14 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
PubChem CID142921806
Molecular FormulaC9H16INO2
Molecular Weight297.14 g/mol
Exact Mass297.02
IUPAC Name(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
SMILESO=C(O)[C@H](CC1CCCCC1)NI
InChIInChI=1S/C9H16INO2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13)/t8-/m0/s1
InChIKeyNANCSXQIVLISAI-QMMMGPOBSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 52.35
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'}

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Related Compounds

(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
3-cyclohexyl-2-iodopropanoic acid
CID 150221699
(2R)-3-cyclohexyl-2-(propan-2-ylsulfonylamino)propanoic acid
CID 114264495
(3S)-3-amino-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 22822514
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
(2R)-2-chloro-3-cyclohexylpropanoic acid
CID 86657609
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
(2S)-3-cyclohexyl-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid
CID 162679583

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid (CID 142921806) is (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid is O=C(O)[C@H](CC1CCCCC1)NI.
What is the InChIKey of (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid?
The InChIKey is NANCSXQIVLISAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16INO2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid?
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid has a molecular weight of 297.14 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(iodoamino)propanoic acid is sourced from PubChem (CID 142921806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).