2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid

C13H21NO3 — CID 120534692

IUPAC2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C13H21NO3/c1-2-3-10(13(16)17)14-12(15)11(8-4-5-8)9-6-7-9/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCRWDJUSMFQRSCR-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds7

About 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid

2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid (PubChem CID 120534692) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid
PubChem CID120534692
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C13H21NO3/c1-2-3-10(13(16)17)14-12(15)11(8-4-5-8)9-6-7-9/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCRWDJUSMFQRSCR-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83147334
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
CID 62695331
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid?
The IUPAC name of 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid (CID 120534692) is 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid is CCCC(NC(=O)C(C1CC1)C1CC1)C(=O)O.
What is the InChIKey of 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid?
The InChIKey is CRWDJUSMFQRSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-3-10(13(16)17)14-12(15)11(8-4-5-8)9-6-7-9/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid?
2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid is sourced from PubChem (CID 120534692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).