(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid

C11H19NO3 — CID 107175295

IUPAC(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1CCCC1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(10(14)15)12-9(13)8-5-4-6-11(8,2)3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)/t7-,8?/m0/s1
InChIKeyUUERYYZEVSKNJA-JAMMHHFISA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds3

About (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid

(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid (PubChem CID 107175295) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
PubChem CID107175295
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1CCCC1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(10(14)15)12-9(13)8-5-4-6-11(8,2)3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)/t7-,8?/m0/s1
InChIKeyUUERYYZEVSKNJA-JAMMHHFISA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid (CID 107175295) is (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid is C[C@H](NC(=O)C1CCCC1(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The InChIKey is UUERYYZEVSKNJA-JAMMHHFISA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(10(14)15)12-9(13)8-5-4-6-11(8,2)3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 107175295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).