2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid

C13H24N2O3 — CID 114111563

IUPAC2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)(C)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-6-15(13(4,5)10(16)17)11(18)14-12(2,3)9-7-8-9/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyWYEZUUKGLCTGSA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid

2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 114111563) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID114111563
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)(C)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-6-15(13(4,5)10(16)17)11(18)14-12(2,3)9-7-8-9/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyWYEZUUKGLCTGSA-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62819971
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[(1,1-dioxothian-4-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822169
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822672
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 83019830
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 83020326
2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
CID 114618190
2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114114333
2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62819730
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 114167559
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid (CID 114111563) is 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid is CCN(C(=O)NC(C)(C)C1CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is WYEZUUKGLCTGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-15(13(4,5)10(16)17)11(18)14-12(2,3)9-7-8-9/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid?
2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114111563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).