(2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid

C13H25NO3 — CID 10514392

IUPAC(2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid
SMILESCCC(CC)NC(=O)C[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-6-9(7-2)14-11(15)8-10(12(16)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyFOWOQPRXPATRDX-JTQLQIEISA-N
MW243.35 g/mol
LogP2.43
Rot. Bonds6

About (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid

(2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid (PubChem CID 10514392) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid
PubChem CID10514392
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid
SMILESCCC(CC)NC(=O)C[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-6-9(7-2)14-11(15)8-10(12(16)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyFOWOQPRXPATRDX-JTQLQIEISA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid (CID 10514392) is (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid is CCC(CC)NC(=O)C[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid?
The InChIKey is FOWOQPRXPATRDX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-9(7-2)14-11(15)8-10(12(16)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid?
(2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoic acid is sourced from PubChem (CID 10514392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).