2-[cyclopropylmethyl(ethyl)amino]pentanoic acid

C11H21NO2 — CID 83040578

IUPAC2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC)CC1CC1
InChIInChI=1S/C11H21NO2/c1-3-5-10(11(13)14)12(4-2)8-9-6-7-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyRNQNVLRQJXDVAZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds7

About 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid

2-[cyclopropylmethyl(ethyl)amino]pentanoic acid (PubChem CID 83040578) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
PubChem CID83040578
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC)CC1CC1
InChIInChI=1S/C11H21NO2/c1-3-5-10(11(13)14)12(4-2)8-9-6-7-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyRNQNVLRQJXDVAZ-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid (CID 83040578) is 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid is CCCC(C(=O)O)N(CC)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid?
The InChIKey is RNQNVLRQJXDVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-10(11(13)14)12(4-2)8-9-6-7-9/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid?
2-[cyclopropylmethyl(ethyl)amino]pentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]pentanoic acid is sourced from PubChem (CID 83040578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).