2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid

C11H20N2O3 — CID 79803865

IUPAC2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)CNC1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-11(4-2,10(15)16)13-9(14)7-12-8-5-6-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJWJPFSLFRZWSOL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.50
Rot. Bonds7

About 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid

2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid (PubChem CID 79803865) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
PubChem CID79803865
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)CNC1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-11(4-2,10(15)16)13-9(14)7-12-8-5-6-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJWJPFSLFRZWSOL-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390
2-(cyclopentylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 114010606
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
CID 79804588
N-tert-butyl-2-[(4-propylcyclohexyl)amino]acetamide
CID 60980793
2-(cyclopropylamino)-N-ethoxyacetamide
CID 60711959
2-(cyclopropylamino)acetic acid
CID 21197388
2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
CID 79806522
2-(cyclopentylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114009223
2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804151

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid (CID 79803865) is 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)CNC1CC1)C(=O)O.
What is the InChIKey of 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid?
The InChIKey is JWJPFSLFRZWSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(4-2,10(15)16)13-9(14)7-12-8-5-6-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid?
2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79803865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).