2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid

C15H23NO3 — CID 112744946

IUPAC2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
SMILESO=C(O)C(NC(=O)C(C1CCC1)C1CCC1)C1CC1
InChIInChI=1S/C15H23NO3/c17-14(16-13(15(18)19)11-7-8-11)12(9-3-1-4-9)10-5-2-6-10/h9-13H,1-8H2,(H,16,17)(H,18,19)
InChIKeyOQIHWHHJUJZAJL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.18
Rot. Bonds6

About 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid (PubChem CID 112744946) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
PubChem CID112744946
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
SMILESO=C(O)C(NC(=O)C(C1CCC1)C1CCC1)C1CC1
InChIInChI=1S/C15H23NO3/c17-14(16-13(15(18)19)11-7-8-11)12(9-3-1-4-9)10-5-2-6-10/h9-13H,1-8H2,(H,16,17)(H,18,19)
InChIKeyOQIHWHHJUJZAJL-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951
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2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
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2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
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2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
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2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)but-3-enoyl]amino]acetic acid
CID 143306447
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid
CID 101214790
2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
CID 119213913
2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
CID 62697536

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid (CID 112744946) is 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid is O=C(O)C(NC(=O)C(C1CCC1)C1CCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid?
The InChIKey is OQIHWHHJUJZAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(16-13(15(18)19)11-7-8-11)12(9-3-1-4-9)10-5-2-6-10/h9-13H,1-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid is sourced from PubChem (CID 112744946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).