3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid

C12H22N2O3 — CID 61162059

IUPAC3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2)14(7-6-10(15)16)11(17)12(3,13)9-4-5-9/h8-9H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyLMDFSSBZFFBABZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds6

About 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid

3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid (PubChem CID 61162059) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid
PubChem CID61162059
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2)14(7-6-10(15)16)11(17)12(3,13)9-4-5-9/h8-9H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyLMDFSSBZFFBABZ-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid (CID 61162059) is 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)C(C)(N)C1CC1.
What is the InChIKey of 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid?
The InChIKey is LMDFSSBZFFBABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)14(7-6-10(15)16)11(17)12(3,13)9-4-5-9/h8-9H,4-7,13H2,1-3H3,(H,15,16).
What are the key properties of 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid?
3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 61162059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).