2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid

C15H25N3O3 — CID 61442901

IUPAC2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)N1CCN(CC2CC2)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H25N3O3/c1-15(13(19)20,12-4-5-12)16-14(21)18-8-6-17(7-9-18)10-11-2-3-11/h11-12H,2-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyLJANZNUKAFQIRN-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.98
Rot. Bonds5

About 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid

2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid (PubChem CID 61442901) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid
PubChem CID61442901
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)N1CCN(CC2CC2)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H25N3O3/c1-15(13(19)20,12-4-5-12)16-14(21)18-8-6-17(7-9-18)10-11-2-3-11/h11-12H,2-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyLJANZNUKAFQIRN-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid (CID 61442901) is 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid is CC(NC(=O)N1CCN(CC2CC2)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid?
The InChIKey is LJANZNUKAFQIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(13(19)20,12-4-5-12)16-14(21)18-8-6-17(7-9-18)10-11-2-3-11/h11-12H,2-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid?
2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61442901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).