2-(butanoylamino)-2-cyclopropylacetic acid

C9H15NO3 — CID 62694942

IUPAC2-(butanoylamino)-2-cyclopropylacetic acid
SMILESCCCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C9H15NO3/c1-2-3-7(11)10-8(9(12)13)6-4-5-6/h6,8H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyFUBWUPMKEPGUSL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds5

About 2-(butanoylamino)-2-cyclopropylacetic acid

2-(butanoylamino)-2-cyclopropylacetic acid (PubChem CID 62694942) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(butanoylamino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(butanoylamino)-2-cyclopropylacetic acid
PubChem CID62694942
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(butanoylamino)-2-cyclopropylacetic acid
SMILESCCCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C9H15NO3/c1-2-3-7(11)10-8(9(12)13)6-4-5-6/h6,8H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyFUBWUPMKEPGUSL-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
CID 62696021
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
CID 62696023
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
CID 62695331
2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
CID 81079237
2-(3-butylsulfanylpropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547768
2-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propanoylamino]acetic acid
CID 62695722
2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
CID 62696875
2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
CID 103155791

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(butanoylamino)-2-cyclopropylacetic acid (CID 62694942) is 2-(butanoylamino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(butanoylamino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(butanoylamino)-2-cyclopropylacetic acid is CCCC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-(butanoylamino)-2-cyclopropylacetic acid?
The InChIKey is FUBWUPMKEPGUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-7(11)10-8(9(12)13)6-4-5-6/h6,8H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(butanoylamino)-2-cyclopropylacetic acid?
2-(butanoylamino)-2-cyclopropylacetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-2-cyclopropylacetic acid is sourced from PubChem (CID 62694942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).