2-(3-cyclopropylpropanoylamino)pentanoic acid

C11H19NO3 — CID 115923947

IUPAC2-(3-cyclopropylpropanoylamino)pentanoic acid
SMILESCCCC(NC(=O)CCC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-9(11(14)15)12-10(13)7-6-8-4-5-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeySYPSCWWMXFRICU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds7

About 2-(3-cyclopropylpropanoylamino)pentanoic acid

2-(3-cyclopropylpropanoylamino)pentanoic acid (PubChem CID 115923947) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(3-cyclopropylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(3-cyclopropylpropanoylamino)pentanoic acid
PubChem CID115923947
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(3-cyclopropylpropanoylamino)pentanoic acid
SMILESCCCC(NC(=O)CCC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-9(11(14)15)12-10(13)7-6-8-4-5-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeySYPSCWWMXFRICU-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
3-(3-cyclopropylpropanoylamino)hexanoic acid
CID 115910353
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
(E)-2-(3-cyclopropylpropanoylamino)hex-4-enoic acid
CID 120693780
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43631087
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353
(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 107567070
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpropanoylamino)pentanoic acid?
The IUPAC name of 2-(3-cyclopropylpropanoylamino)pentanoic acid (CID 115923947) is 2-(3-cyclopropylpropanoylamino)pentanoic acid.
What is the SMILES notation for 2-(3-cyclopropylpropanoylamino)pentanoic acid?
The canonical SMILES for 2-(3-cyclopropylpropanoylamino)pentanoic acid is CCCC(NC(=O)CCC1CC1)C(=O)O.
What is the InChIKey of 2-(3-cyclopropylpropanoylamino)pentanoic acid?
The InChIKey is SYPSCWWMXFRICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-9(11(14)15)12-10(13)7-6-8-4-5-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-cyclopropylpropanoylamino)pentanoic acid?
2-(3-cyclopropylpropanoylamino)pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpropanoylamino)pentanoic acid is sourced from PubChem (CID 115923947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).