[(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid

C9H18N2O4S — CID 123813520

IUPAC[(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid
SMILESC[C@H](N)C(=O)N(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C9H18N2O4S/c1-7(10)9(12)11(16(13,14)15)8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyUISLGWJZBNGZIG-ZETCQYMHSA-N
MW250.32 g/mol
LogP0.30
Rot. Bonds3

About [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid

[(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid (PubChem CID 123813520) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid.

Molecular Properties

Compound Name[(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid
PubChem CID123813520
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name[(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid
SMILESC[C@H](N)C(=O)N(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C9H18N2O4S/c1-7(10)9(12)11(16(13,14)15)8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyUISLGWJZBNGZIG-ZETCQYMHSA-N
XLogP0.30
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 18658340
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
N-carbamoyl-N-cyclohexylsulfamoyl chloride
CID 172847013
(2S)-2-aminopropanoic acid;cyclohexylsulfamic acid
CID 67762243
(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
CID 96553420
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid?
The IUPAC name of [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid (CID 123813520) is [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid.
What is the SMILES notation for [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid?
The canonical SMILES for [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid is C[C@H](N)C(=O)N(C1CCCCC1)S(=O)(=O)O.
What is the InChIKey of [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid?
The InChIKey is UISLGWJZBNGZIG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7(10)9(12)11(16(13,14)15)8-5-3-2-4-6-8/h7-8H,2-6,10H2,1H3,(H,13,14,15)/t7-/m0/s1.
What are the key properties of [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid?
[(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid has a molecular weight of 250.32 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid is sourced from PubChem (CID 123813520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).