2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid

C13H25NO2 — CID 114988470

IUPAC2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
SMILESCCCN(CC1CC1)C(CC)(CC)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-9-14(10-11-7-8-11)13(5-2,6-3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyLLCHURBYRNOREM-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds8

About 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid

2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid (PubChem CID 114988470) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
PubChem CID114988470
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
SMILESCCCN(CC1CC1)C(CC)(CC)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-9-14(10-11-7-8-11)13(5-2,6-3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyLLCHURBYRNOREM-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
CID 114987688
2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
CID 114991466
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
2-[ethyl(propyl)amino]-2-propylpentanoic acid
CID 114990856
2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid
CID 114996932
2-amino-N-(cyclopropylmethyl)-2-methyl-N-propylbutanamide
CID 79796804
2-(dipropylamino)-2-methylbutanoic acid
CID 78969481
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654
2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid
CID 114989592
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
CID 82770458
4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid (CID 114988470) is 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid is CCCN(CC1CC1)C(CC)(CC)C(=O)O.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid?
The InChIKey is LLCHURBYRNOREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-9-14(10-11-7-8-11)13(5-2,6-3)12(15)16/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid?
2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 114988470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).