2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid

C10H18N2O3 — CID 61159841

IUPAC2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)CCCN)(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-10(9(14)15,7-4-5-7)12-8(13)3-2-6-11/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyLORGYAXVOSPDJW-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds6

About 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid

2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid (PubChem CID 61159841) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
PubChem CID61159841
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)CCCN)(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-10(9(14)15,7-4-5-7)12-8(13)3-2-6-11/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyLORGYAXVOSPDJW-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
CID 61161764
4-amino-N-(2-cyclopropylpropan-2-yl)butanamide
CID 103795739
2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
CID 43341227
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172564
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
CID 43360529
2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43360456
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid
CID 79812599
2-cyclopropyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43360398

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid (CID 61159841) is 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid is CC(NC(=O)CCCN)(C(=O)O)C1CC1.
What is the InChIKey of 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid?
The InChIKey is LORGYAXVOSPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(9(14)15,7-4-5-7)12-8(13)3-2-6-11/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid?
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 61159841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).