(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid

C13H23NO3 — CID 120615360

IUPAC(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)CCC1CCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-7-11(13(16)17)14-12(15)9-8-10-5-4-6-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKeyRVXZWJSGLRYXJH-NSHDSACASA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds8

About (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid

(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid (PubChem CID 120615360) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
PubChem CID120615360
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)CCC1CCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-7-11(13(16)17)14-12(15)9-8-10-5-4-6-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKeyRVXZWJSGLRYXJH-NSHDSACASA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43387726
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CID 107831353
2-[(2-cyclopentylacetyl)amino]hexanoic acid
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2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-2-[3-(5-methyloxolan-2-yl)propanoylamino]hexanoic acid
CID 120614512
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid?
The IUPAC name of (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid (CID 120615360) is (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid is CCCC[C@H](NC(=O)CCC1CCC1)C(=O)O.
What is the InChIKey of (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid?
The InChIKey is RVXZWJSGLRYXJH-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-7-11(13(16)17)14-12(15)9-8-10-5-4-6-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid?
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid is sourced from PubChem (CID 120615360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).