(2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid

C9H17NO4S — CID 70114740

IUPAC(2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-7(9(11)12)10(15(2,13)14)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyPFMGAEKTSROGLX-ZETCQYMHSA-N
MW235.30 g/mol
LogP0.66
Rot. Bonds4

About (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid

(2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid (PubChem CID 70114740) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid
PubChem CID70114740
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name(2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-7(9(11)12)10(15(2,13)14)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyPFMGAEKTSROGLX-ZETCQYMHSA-N
XLogP0.66
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid (CID 70114740) is (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid is C[C@@H](C(=O)O)N(C1CCCC1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid?
The InChIKey is PFMGAEKTSROGLX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7(9(11)12)10(15(2,13)14)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid?
(2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 70114740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).