2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid

C14H25NO3 — CID 119202296

IUPAC2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
SMILESCC(C)CC(C)CC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-9(2)7-10(3)8-13(16)15(12-5-6-12)11(4)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyRPCRLRDYDGWIPZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.52
Rot. Bonds7

About 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid

2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid (PubChem CID 119202296) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
PubChem CID119202296
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
SMILESCC(C)CC(C)CC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-9(2)7-10(3)8-13(16)15(12-5-6-12)11(4)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyRPCRLRDYDGWIPZ-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid (CID 119202296) is 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid is CC(C)CC(C)CC(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid?
The InChIKey is RPCRLRDYDGWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)7-10(3)8-13(16)15(12-5-6-12)11(4)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid?
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid is sourced from PubChem (CID 119202296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).