(2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid

C15H27NO4 — CID 122065074

IUPAC(2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid
SMILESCCC(OC1CCCC1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H27NO4/c1-4-13(20-11-7-5-6-8-11)14(17)16-12(15(18)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t12-,13?/m0/s1
InChIKeyQJXONRAVLPJTAO-UEWDXFNNSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds8

About (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid

(2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid (PubChem CID 122065074) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid
PubChem CID122065074
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid
SMILESCCC(OC1CCCC1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H27NO4/c1-4-13(20-11-7-5-6-8-11)14(17)16-12(15(18)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t12-,13?/m0/s1
InChIKeyQJXONRAVLPJTAO-UEWDXFNNSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-cycloheptyloxypropanoylamino)-4-methylpentanoic acid
CID 119360863
(2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid
CID 122065107
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
CID 20766230
N-(2-amino-1-cyclopropylethyl)-2-cyclohexyloxybutanamide
CID 119615946
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228312
5-(2-cyclopentyloxybutanoylamino)pentanoic acid
CID 119234716
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
(2S)-2-(bicyclo[3.1.0]hexane-6-carbonylamino)-4-methylpentanoic acid
CID 81451503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid (CID 122065074) is (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid is CCC(OC1CCCC1)C(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid?
The InChIKey is QJXONRAVLPJTAO-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-13(20-11-7-5-6-8-11)14(17)16-12(15(18)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid?
(2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 122065074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).