(2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid

C10H17NO5S — CID 119238407

IUPAC(2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)O
InChIInChI=1S/C10H17NO5S/c1-7(8(12)13)11-9(14)10(17(2,15)16)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKeyIWEMNMYTMUDYQB-ZETCQYMHSA-N
MW263.31 g/mol
LogP-0.07
Rot. Bonds4

About (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid

(2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid (PubChem CID 119238407) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid
PubChem CID119238407
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name(2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)O
InChIInChI=1S/C10H17NO5S/c1-7(8(12)13)11-9(14)10(17(2,15)16)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKeyIWEMNMYTMUDYQB-ZETCQYMHSA-N
XLogP-0.07
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-methylsulfonylcyclopentane-1-carboxamide
CID 130605374
2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 21354705
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide
CID 138048746
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-methylsulfonylcyclopentane-1-carboxamide
CID 95309048
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
1-methylsulfonyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]cyclopentane-1-carboxamide
CID 129345485
1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 126800077
N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide
CID 166389843
(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119369696
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid (CID 119238407) is (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid is C[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid?
The InChIKey is IWEMNMYTMUDYQB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-7(8(12)13)11-9(14)10(17(2,15)16)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid?
(2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid has a molecular weight of 263.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methylsulfonylcyclopentanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 119238407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).