4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid

C13H24N2O3 — CID 61161104

IUPAC4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)15(8-4-5-11(16)17)12(18)13(3,14)10-6-7-10/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyQJTAALHXVZRWJI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds7

About 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid

4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid (PubChem CID 61161104) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid
PubChem CID61161104
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)15(8-4-5-11(16)17)12(18)13(3,14)10-6-7-10/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyQJTAALHXVZRWJI-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid
CID 61162059
2-amino-2-cyclopropyl-N-propan-2-yl-N-propylpropanamide
CID 60867147
4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 65269921
4-[2,2-dimethylbutanoyl(propan-2-yl)amino]butanoic acid
CID 62679528
4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid
CID 61159538
4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid
CID 103018314
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid
CID 62328664
ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate
CID 54916791
4-[(2-amino-3,3-dimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 76894241
4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61205751
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid (CID 61161104) is 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)C(C)(N)C1CC1.
What is the InChIKey of 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid?
The InChIKey is QJTAALHXVZRWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)15(8-4-5-11(16)17)12(18)13(3,14)10-6-7-10/h9-10H,4-8,14H2,1-3H3,(H,16,17).
What are the key properties of 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid?
4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61161104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).